4-[(E)-1,2-bis(oxidanyl)heptadec-4-en-3-yl]sulfanylbutanoic acid

Systemtic Name: 4-[(E)-1,2-bis(oxidanyl)heptadec-4-en-3-yl]sulfanylbutanoic acid Openeye Name: 4-[(E)-1-(1,2-dihydroxyethyl)pentadec-2-enyl]sulfanylbutanoic acid CAS Name: 4-[[(E)-1,2-dihydroxyheptadec-4-en-3-yl]thio]butanoic acid IUPAC Name: 4-[(E)-1,2-dihydroxyheptadec-4-en-3-yl]sulfanylbutanoic acid Traditional Name: 4-[[(E)-1-(1,2-dihydroxyethyl)pentadec-2-enyl]thio]butyric acid Formula: C21H40O4S MolecularWeight: 388.6049

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC=CC(C(CO)O)SCCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCC/C=C/C(C(CO)O)SCCCC(=O)O

InChI

InChI=1S/C21H40O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-20(19(23)18-22)26-17-14-16-21(24)25/h13,15,19-20,22-23H,2-12,14,16-18H2,1H3,(H,24,25)/b15-13+