[3-[(E)-hept-1-enyl]sulfanyl-2-(phenylcarbonyloxy)propyl] benzoate

Systemtic Name: [3-[(E)-hept-1-enyl]sulfanyl-2-(phenylcarbonyloxy)propyl] benzoate Openeye Name: [2-benzoyloxy-3-[(E)-hept-1-enyl]sulfanyl-propyl] benzoate CAS Name: benzoic acid [2-benzoyloxy-3-[[(E)-hept-1-enyl]thio]propyl] ester IUPAC Name: [2-benzoyloxy-3-[(E)-hept-1-enyl]sulfanylpropyl] benzoate Traditional Name: benzoic acid [2-benzoyloxy-3-[[(E)-hept-1-enyl]thio]propyl] ester Formula: C24H28O4S MolecularWeight: 412.54172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CSCC(COC(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCC/C=C/SCC(COC(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C24H28O4S/c1-2-3-4-5-12-17-29-19-22(28-24(26)21-15-10-7-11-16-21)18-27-23(25)20-13-8-6-9-14-20/h6-17,22H,2-5,18-19H2,1H3/b17-12+