3-[2-[3-(2-oxidanylidene-2-sulfanyl-ethyl)-8-propyl-dodecoxy]ethyl]-8-propyl-dodecanethioic S-acid

Systemtic Name: 3-[2-[3-(2-oxidanylidene-2-sulfanyl-ethyl)-8-propyl-dodecoxy]ethyl]-8-propyl-dodecanethioic S-acid Openeye Name: 3-[2-[3-(2-oxo-2-sulfanyl-ethyl)-8-propyl-dodecoxy]ethyl]-8-propyl-dodecanethioic S-acid CAS Name: 3-[2-[3-(2-mercapto-2-oxoethyl)-8-propyldodecoxy]ethyl]-8-propyldodecanethioic S-acid IUPAC Name: 3-[2-[3-(2-oxo-2-sulfanylethyl)-8-propyldodecoxy]ethyl]-8-propyldodecanethioic S-acid Traditional Name: 3-[2-[3-(2-keto-2-mercapto-ethyl)-8-propyl-dodecoxy]ethyl]-8-propyl-thiolauric acid Formula: C34H66O3S2 MolecularWeight: 587.01604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC)CCCCC(CCOCCC(CCCCC(CCC)CCCC)CC(=O)S)CC(=O)S

Isomeric SMILES

CCCCC(CCC)CCCCC(CCOCCC(CCCCC(CCC)CCCC)CC(=O)S)CC(=O)S

InChI

InChI=1S/C34H66O3S2/c1-5-9-17-29(15-7-3)19-11-13-21-31(27-33(35)38)23-25-37-26-24-32(28-34(36)39)22-14-12-20-30(16-8-4)18-10-6-2/h29-32H,5-28H2,1-4H3,(H,35,38)(H,36,39)