3-[1,4-dihexadecoxy-1,4-bis(oxidanylidene)butan-2-yl]sulfanylpropanoic acid

Systemtic Name: 3-[1,4-dihexadecoxy-1,4-bis(oxidanylidene)butan-2-yl]sulfanylpropanoic acid Openeye Name: 3-(3-hexadecoxy-1-hexadecoxycarbonyl-3-oxo-propyl)sulfanylpropanoic acid CAS Name: 3-[(1,4-dihexadecoxy-1,4-dioxobutan-2-yl)thio]propanoic acid IUPAC Name: 3-(1,4-dihexadecoxy-1,4-dioxobutan-2-yl)sulfanylpropanoic acid Traditional Name: 3-[(3-cetyloxy-1-cetyloxycarbonyl-3-keto-propyl)thio]propionic acid Formula: C39H74O6S MolecularWeight: 671.06626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCCCCCCCC)SCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCCCCCCCC)SCCC(=O)O

InChI

InChI=1S/C39H74O6S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-32-44-38(42)35-36(46-34-31-37(40)41)39(43)45-33-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h36H,3-35H2,1-2H3,(H,40,41)