[3-[(E)-hept-1-enyl]sulfanyl-2-hexanoyloxy-propyl] hexanoate

Systemtic Name: [3-[(E)-hept-1-enyl]sulfanyl-2-hexanoyloxy-propyl] hexanoate Openeye Name: [3-[(E)-hept-1-enyl]sulfanyl-2-hexanoyloxy-propyl] hexanoate CAS Name: hexanoic acid [3-[[(E)-hept-1-enyl]thio]-2-(1-oxohexoxy)propyl] ester IUPAC Name: [3-[(E)-hept-1-enyl]sulfanyl-2-hexanoyloxypropyl] hexanoate Traditional Name: hexanoic acid [2-caproyloxy-3-[[(E)-hept-1-enyl]thio]propyl] ester Formula: C22H40O4S MolecularWeight: 400.6156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CSCC(COC(=O)CCCCC)OC(=O)CCCCC

Isomeric SMILES

CCCCC/C=C/SCC(COC(=O)CCCCC)OC(=O)CCCCC

InChI

InChI=1S/C22H40O4S/c1-4-7-10-11-14-17-27-19-20(26-22(24)16-13-9-6-3)18-25-21(23)15-12-8-5-2/h14,17,20H,4-13,15-16,18-19H2,1-3H3/b17-14+