58734679 -OEChem-03192405062D 39 40 0 0 0 0 0 0 0999 V2000 4.5981 -1.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.5981 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 1.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 -0.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 3.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 2.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 2.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 3.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3509 1.9046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3509 -1.4046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7998 1.0829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7998 -0.5829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 9 1 0 0 0 0 5 7 1 0 0 0 0 5 9 2 0 0 0 0 5 12 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 12 2 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 21 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 8 22 1 0 0 0 0 9 11 1 0 0 0 0 10 11 1 0 0 0 0 10 17 2 0 0 0 0 11 18 2 0 0 0 0 12 23 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 19 1 0 0 0 0 17 36 1 0 0 0 0 18 20 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 M CHG 1 2 -1 M END > 58734679 > 1 > 408 > 3 > 0 > 2 > AAADceB4MABAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAADBUAAAGAQAAAAADQCAWAAyAcAAAAKAAiBCAHBCAEAgAAAIiBAAAIgIICKAERCAIAAggAAIiAcAgMAO0AACgAAUAACgAAUAACgAAAAAAAAAAA== > 2,4-diisopropylnaphthalene-1-sulfonate > 2,4-di(propan-2-yl)-1-naphthalenesulfonate > 2,4-di(propan-2-yl)naphthalene-1-sulfonate > 2,4-di(propan-2-yl)naphthalene-1-sulfonate > 2,4-di(propan-2-yl)naphthalene-1-sulfonate > 2,4-diisopropylnaphthalene-1-sulfonate > InChI=1S/C16H20O3S/c1-10(2)14-9-15(11(3)4)16(20(17,18)19)13-8-6-5-7-12(13)14/h5-11H,1-4H3,(H,17,18,19)/p-1 > VYQXVUOBJOFDRA-UHFFFAOYSA-M > 4.1 > 291.10549064 > C16H19O3S- > 291.4 > CC(C)C1=CC(=C(C2=CC=CC=C21)S(=O)(=O)[O-])C(C)C > CC(C)C1=CC(=C(C2=CC=CC=C21)S(=O)(=O)[O-])C(C)C > 65.6 > 291.10549064 > -1 > 20 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 11 8 10 17 8 11 18 8 17 19 8 18 20 8 19 20 8 5 12 8 5 9 8 6 10 8 6 12 8 9 11 8 $$$$