2-methyl-7-[(1S,2R)-2-(3-sulfanyloctyl)cyclopentyl]heptanoate

Systemtic Name: 2-methyl-7-[(1S,2R)-2-(3-sulfanyloctyl)cyclopentyl]heptanoate Openeye Name: 2-methyl-7-[(1S,2R)-2-(3-sulfanyloctyl)cyclopentyl]heptanoate CAS Name: 7-[(1S,2R)-2-(3-mercaptooctyl)cyclopentyl]-2-methylheptanoate IUPAC Name: 2-methyl-7-[(1S,2R)-2-(3-sulfanyloctyl)cyclopentyl]heptanoate Traditional Name: 7-[(1S,2R)-2-(3-mercaptooctyl)cyclopentyl]-2-methyl-enanthate Formula: C21H39O2S- MolecularWeight: 355.59816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCC1CCCC1CCCCCC(C)C(=O)[O-])S

Isomeric SMILES

CCCCCC(CC[C@H]1CCC[C@@H]1CCCCCC(C)C(=O)[O-])S

InChI

InChI=1S/C21H40O2S/c1-3-4-6-14-20(24)16-15-19-13-9-12-18(19)11-8-5-7-10-17(2)21(22)23/h17-20,24H,3-16H2,1-2H3,(H,22,23)/p-1/t17?,18-,19+,20?/m0/s1