4-[(E)-1-oxidanylhexadec-3-en-2-yl]sulfanylbutanoic acid

Systemtic Name: 4-[(E)-1-oxidanylhexadec-3-en-2-yl]sulfanylbutanoic acid Openeye Name: 4-[(E)-1-(hydroxymethyl)pentadec-2-enyl]sulfanylbutanoic acid CAS Name: 4-[[(E)-1-hydroxyhexadec-3-en-2-yl]thio]butanoic acid IUPAC Name: 4-[(E)-1-hydroxyhexadec-3-en-2-yl]sulfanylbutanoic acid Traditional Name: 4-[[(E)-1-methylolpentadec-2-enyl]thio]butyric acid Formula: C20H38O3S MolecularWeight: 358.57892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H38O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-19(18-21)24-17-14-16-20(22)23/h13,15,19,21H,2-12,14,16-18H2,1H3,(H,22,23)/b15-13+