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

Systemtic Name: 2-[(E)-1-oxidanylhexadec-3-en-2-yl]sulfanylethanoic acid Openeye Name: 2-[(E)-1-(hydroxymethyl)pentadec-2-enyl]sulfanylacetic acid CAS Name: 2-[[(E)-1-hydroxyhexadec-3-en-2-yl]thio]acetic acid IUPAC Name: 2-[(E)-1-hydroxyhexadec-3-en-2-yl]sulfanylacetic acid Traditional Name: 2-[[(E)-1-methylolpentadec-2-enyl]thio]acetic acid Formula: C18H34O3S MolecularWeight: 330.52576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H34O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(15-19)22-16-18(20)21/h13-14,17,19H,2-12,15-16H2,1H3,(H,20,21)/b14-13+