[(E)-4-(6-oxidanylhexylsulfanyl)pent-3-enyl] benzoate

Systemtic Name: [(E)-4-(6-oxidanylhexylsulfanyl)pent-3-enyl] benzoate Openeye Name: [(E)-4-(6-hydroxyhexylsulfanyl)pent-3-enyl] benzoate CAS Name: benzoic acid [(E)-4-(6-hydroxyhexylthio)pent-3-enyl] ester IUPAC Name: [(E)-4-(6-hydroxyhexylsulfanyl)pent-3-enyl] benzoate Traditional Name: benzoic acid [(E)-4-(6-hydroxyhexylthio)pent-3-enyl] ester Formula: C18H26O3S MolecularWeight: 322.46224

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCOC(=O)C1=CC=CC=C1)SCCCCCCO

Isomeric SMILES

C/C(=C\CCOC(=O)C1=CC=CC=C1)/SCCCCCCO

InChI

InChI=1S/C18H26O3S/c1-16(22-15-8-3-2-7-13-19)10-9-14-21-18(20)17-11-5-4-6-12-17/h4-6,10-12,19H,2-3,7-9,13-15H2,1H3/b16-10+