2-[(E)-15-oxidanylpentadec-7-en-6-yl]sulfanylethanoic acid

Systemtic Name: 2-[(E)-15-oxidanylpentadec-7-en-6-yl]sulfanylethanoic acid Openeye Name: 2-[(E)-10-hydroxy-1-pentyl-dec-2-enyl]sulfanylacetic acid CAS Name: 2-[[(E)-15-hydroxypentadec-7-en-6-yl]thio]acetic acid IUPAC Name: 2-[(E)-15-hydroxypentadec-7-en-6-yl]sulfanylacetic acid Traditional Name: 2-[[(E)-1-amyl-10-hydroxy-dec-2-enyl]thio]acetic acid Formula: C17H32O3S MolecularWeight: 316.49918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CCCCCCCCO)SCC(=O)O

Isomeric SMILES

CCCCCC(/C=C/CCCCCCCO)SCC(=O)O

InChI

InChI=1S/C17H32O3S/c1-2-3-9-12-16(21-15-17(19)20)13-10-7-5-4-6-8-11-14-18/h10,13,16,18H,2-9,11-12,14-15H2,1H3,(H,19,20)/b13-10+