octadecan-2-yl 2,3-bis(sulfanyl)propanoate

Systemtic Name: octadecan-2-yl 2,3-bis(sulfanyl)propanoate Openeye Name: 1-methylheptadecyl 2,3-bis(sulfanyl)propanoate CAS Name: 2,3-dimercaptopropanoic acid octadecan-2-yl ester IUPAC Name: octadecan-2-yl 2,3-bis(sulfanyl)propanoate Traditional Name: 2,3-dimercaptopropionic acid 1-methylheptadecyl ester Formula: C21H42O2S2 MolecularWeight: 390.68698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C)OC(=O)C(CS)S

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C)OC(=O)C(CS)S

InChI

InChI=1S/C21H42O2S2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(2)23-21(22)20(25)18-24/h19-20,24-25H,3-18H2,1-2H3