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

Systemtic Name: 2-[(E)-1,2-bis(oxidanyl)heptadec-4-en-3-yl]sulfanylethanoic acid Openeye Name: 2-[(E)-1-(1,2-dihydroxyethyl)pentadec-2-enyl]sulfanylacetic acid CAS Name: 2-[[(E)-1,2-dihydroxyheptadec-4-en-3-yl]thio]acetic acid IUPAC Name: 2-[(E)-1,2-dihydroxyheptadec-4-en-3-yl]sulfanylacetic acid Traditional Name: 2-[[(E)-1-(1,2-dihydroxyethyl)pentadec-2-enyl]thio]acetic acid Formula: C19H36O4S MolecularWeight: 360.55174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H36O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(17(21)15-20)24-16-19(22)23/h13-14,17-18,20-21H,2-12,15-16H2,1H3,(H,22,23)/b14-13+