(E)-4-oxidanyl-5-(4-oxidanyl-4-oxidanylidene-butyl)sulfanyl-heptadec-6-enoic acid

Systemtic Name: (E)-4-oxidanyl-5-(4-oxidanyl-4-oxidanylidene-butyl)sulfanyl-heptadec-6-enoic acid Openeye Name: (E)-4-hydroxy-5-(4-hydroxy-4-oxo-butyl)sulfanyl-heptadec-6-enoic acid CAS Name: (E)-4-hydroxy-5-[(4-hydroxy-4-oxobutyl)thio]-6-heptadecenoic acid IUPAC Name: (E)-4-hydroxy-5-(4-hydroxy-4-oxobutyl)sulfanylheptadec-6-enoic acid Traditional Name: (E)-4-hydroxy-5-[(4-hydroxy-4-keto-butyl)thio]heptadec-6-enoic acid Formula: C21H38O5S MolecularWeight: 402.58842

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC=CC(C(CCC(=O)O)O)SCCCC(=O)O

Isomeric SMILES

CCCCCCCCCC/C=C/C(C(CCC(=O)O)O)SCCCC(=O)O

InChI

InChI=1S/C21H38O5S/c1-2-3-4-5-6-7-8-9-10-11-13-19(18(22)15-16-21(25)26)27-17-12-14-20(23)24/h11,13,18-19,22H,2-10,12,14-17H2,1H3,(H,23,24)(H,25,26)/b13-11+