18730 -OEChem-03292408282D 39 43 0 0 0 0 0 0 0999 V2000 9.9630 -3.3276 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.2592 0.0957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0682 2.6835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9805 -1.6644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5381 2.7076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5984 2.7076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9836 -3.0416 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0682 0.6835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8773 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2022 1.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9343 1.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5682 -0.8554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2022 2.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9343 2.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5682 -0.8554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8728 -0.2109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3083 0.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8282 0.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7691 -1.8775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3083 2.7181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8282 2.7181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2419 -1.3220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4022 1.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7343 1.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6125 -2.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4022 2.2043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7343 2.2043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9733 -3.1846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3063 0.2323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3154 0.0288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8210 0.0288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3139 -2.2984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3154 3.3381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8210 3.3381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8523 -1.4304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8665 0.8506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2700 0.8506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.3997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5960 3.3276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 2 0 0 0 0 2 8 1 0 0 0 0 2 15 1 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 4 15 2 0 0 0 0 5 26 1 0 0 0 0 5 38 1 0 0 0 0 6 27 1 0 0 0 0 6 39 1 0 0 0 0 7 25 1 0 0 0 0 7 28 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 9 12 2 0 0 0 0 9 16 1 0 0 0 0 10 13 2 0 0 0 0 10 17 1 0 0 0 0 11 14 2 0 0 0 0 11 18 1 0 0 0 0 12 15 1 0 0 0 0 12 19 1 0 0 0 0 13 20 1 0 0 0 0 14 21 1 0 0 0 0 16 22 2 0 0 0 0 16 29 1 0 0 0 0 17 23 2 0 0 0 0 17 30 1 0 0 0 0 18 24 2 0 0 0 0 18 31 1 0 0 0 0 19 25 2 0 0 0 0 19 32 1 0 0 0 0 20 26 2 0 0 0 0 20 33 1 0 0 0 0 21 27 2 0 0 0 0 21 34 1 0 0 0 0 22 25 1 0 0 0 0 22 35 1 0 0 0 0 23 26 1 0 0 0 0 23 36 1 0 0 0 0 24 27 1 0 0 0 0 24 37 1 0 0 0 0 M END > 18730 > 1 > 668 > 7 > 2 > 1 > AAADccB6OABAAAAAAAAAAAAAAAAAASAAAAA0YMEAAAAAAEiRUAAAHgQACAAADEyBmAAwzoIABgCsAiTSTACCCAAkIgAIiAEGbMgMJzKGtZuCeSDlwBUI+Ye++P2OqAAASAAYAABQAACQADAAAAAAAAAAAA== > 3',6'-dihydroxy-6-isothiocyanato-spiro[isobenzofuran-3,9'-xanthene]-1-one > 3',6'-dihydroxy-6-isothiocyanato-1-spiro[isobenzofuran-3,9'-xanthene]one > 3',6'-dihydroxy-6-isothiocyanatospiro[2-benzofuran-3,9'-xanthene]-1-one > 3',6'-dihydroxy-6-isothiocyanatospiro[2-benzofuran-3,9'-xanthene]-1-one > 6-isothiocyanato-3',6'-bis(oxidanyl)spiro[2-benzofuran-3,9'-xanthene]-1-one > 3',6'-dihydroxy-6-isothiocyanato-spiro[phthalan-3,9'-xanthene]-1-one > InChI=1S/C21H11NO5S/c23-12-2-5-16-18(8-12)26-19-9-13(24)3-6-17(19)21(16)15-4-1-11(22-10-28)7-14(15)20(25)27-21/h1-9,23-24H > MHMNJMPURVTYEJ-UHFFFAOYSA-N > 4.8 > 389.03579362 > C21H11NO5S > 389.4 > C1=CC2=C(C=C1N=C=S)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O > C1=CC2=C(C=C1N=C=S)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O > 120 > 389.03579362 > 0 > 28 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 13 8 10 17 8 11 14 8 11 18 8 12 19 8 13 20 8 14 21 8 16 22 8 17 23 8 18 24 8 19 25 8 20 26 8 21 27 8 22 25 8 23 26 8 24 27 8 9 12 8 9 16 8 $$$$