70675592 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 11 8 8 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 -1 1 2 3 4 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 11 12 12 12 13 13 13 14 14 14 15 15 16 16 16 16 17 17 17 18 19 19 19 20 20 20 2 21 21 5 6 10 22 7 23 24 8 25 26 9 27 28 11 29 30 12 31 32 11 33 34 13 35 36 14 37 38 15 39 40 18 41 17 18 42 43 19 44 45 46 20 47 48 21 49 50 7 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 5 6 10 22 3 1 15 14 41 18 16 46 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 12.3353 11.4693 10.6032 2.809 2.809 2 3.675 2.309 3.675 3.618 3.309 4.5411 4.5411 5.4071 5.4071 7.1391 8.0052 6.2731 8.8712 9.7372 10.6032 3.3614 2.597 2.1984 1.69 1.4336 3.8871 4.2856 1.7026 2.3738 3.463 3.0645 4.2077 3.6734 4.7531 5.1516 4.329 3.9305 5.6192 6.0177 4.8702 6.7406 7.5377 8.4037 7.6066 6.2731 8.4727 9.2697 10.1357 9.3387 2.9594 3.4594 1.9594 -2.5406 -1.5406 -3.1284 -1.0406 -4.0794 -0.0406 -3.1284 -4.0794 0.4594 1.4594 1.9594 2.9594 2.9594 3.4594 3.4594 2.9594 3.4594 2.9594 -2.2591 -0.958 -1.6482 -2.5914 -3.3805 -1.6232 -0.9329 -4.2083 -4.696 0.542 -0.1482 -2.9368 -4.581 -0.1232 0.5671 2.042 1.3518 1.3768 2.0671 3.2694 2.4845 2.4845 3.9344 3.9344 4.0794 2.4845 2.4845 3.9344 3.9344 3 4 5 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 310 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 12 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E0783020000000000000000000000000000100000000000000000000000000000000001A00000000000D00808000000800000000880020D2080000000020000008080100000800001200010000000004800008000388C8C00E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 sodium;(Z)-13-cyclopent-2-en-1-yltridec-6-enoate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 sodium;(Z)-13-(1-cyclopent-2-enyl)-6-tridecenoate IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 sodium;(<I>Z</I>)-13-cyclopent-2-en-1-yltridec-6-enoate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 sodium;(Z)-13-cyclopent-2-en-1-yltridec-6-enoate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 sodium;(Z)-13-cyclopent-2-en-1-yltridec-6-enoate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 sodium;(Z)-13-cyclopent-2-en-1-yltridec-6-enoate InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C18H30O2.Na/c19-18(20)16-10-8-6-4-2-1-3-5-7-9-13-17-14-11-12-15-17;/h2,4,11,14,17H,1,3,5-10,12-13,15-16H2,(H,19,20);/q;+1/p-1/b4-2-; InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 ATCANPPRKJECTR-MKHFZPSSSA-M Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 300.20652445 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C18H29NaO2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 300.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1CC(C=C1)CCCCCCC=CCCCCC(=O)[O-].[Na+] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1CC(C=C1)CCCCCC/C=C\CCCCC(=O)[O-].[Na+] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 40.1 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 300.20652445 21 1 0 1 1 1 0 0 2 -1