octadecane-1-thiol; 4-(17-sulfanylheptadecyl)heptanedioate

Systemtic Name: octadecane-1-thiol; 4-(17-sulfanylheptadecyl)heptanedioate Openeye Name: octadecane-1-thiol; 4-(17-sulfanylheptadecyl)heptanedioate CAS Name: 4-(17-mercaptoheptadecyl)heptanedioate; 1-octadecanethiol IUPAC Name: octadecane-1-thiol; 4-(17-sulfanylheptadecyl)heptanedioate Traditional Name: 4-(17-mercaptoheptadecyl)pimelate; octadecane-1-thiol Formula: C42H82O4S2-2 MolecularWeight: 715.22808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCS.C(CCCCCCCCC(CCC(=O)[O-])CCC(=O)[O-])CCCCCCCCS

Isomeric SMILES

CCCCCCCCCCCCCCCCCCS.C(CCCCCCCCC(CCC(=O)[O-])CCC(=O)[O-])CCCCCCCCS

InChI

InChI=1S/C24H46O4S.C18H38S/c25-23(26)19-17-22(18-20-24(27)28)16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-21-29;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h22,29H,1-21H2,(H,25,26)(H,27,28);19H,2-18H2,1H3/p-2