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

Systemtic Name: 3-[(E)-1,2-bis(oxidanyl)heptadec-4-en-3-yl]sulfanylpropanoic acid Openeye Name: 3-[(E)-1-(1,2-dihydroxyethyl)pentadec-2-enyl]sulfanylpropanoic acid CAS Name: 3-[[(E)-1,2-dihydroxyheptadec-4-en-3-yl]thio]propanoic acid IUPAC Name: 3-[(E)-1,2-dihydroxyheptadec-4-en-3-yl]sulfanylpropanoic acid Traditional Name: 3-[[(E)-1-(1,2-dihydroxyethyl)pentadec-2-enyl]thio]propionic acid Formula: C20H38O4S MolecularWeight: 374.57832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H38O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19(18(22)17-21)25-16-15-20(23)24/h13-14,18-19,21-22H,2-12,15-17H2,1H3,(H,23,24)/b14-13+