methyl 3-[(1E,3Z,6Z)-pentadeca-1,3,6-trienyl]sulfanylbenzoate

Systemtic Name: methyl 3-[(1E,3Z,6Z)-pentadeca-1,3,6-trienyl]sulfanylbenzoate Openeye Name: methyl 3-[(1E,3Z,6Z)-pentadeca-1,3,6-trienyl]sulfanylbenzoate CAS Name: 3-[[(1E,3Z,6Z)-pentadeca-1,3,6-trienyl]thio]benzoic acid methyl ester IUPAC Name: methyl 3-[(1E,3Z,6Z)-pentadeca-1,3,6-trienyl]sulfanylbenzoate Traditional Name: 3-[[(1E,3Z,6Z)-pentadeca-1,3,6-trienyl]thio]benzoic acid methyl ester Formula: C23H32O2S MolecularWeight: 372.56398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCC=CC=CSC1=CC=CC(=C1)C(=O)OC

Isomeric SMILES

CCCCCCCC/C=C\C/C=C\C=C\SC1=CC=CC(=C1)C(=O)OC

InChI

InChI=1S/C23H32O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-26-22-18-16-17-21(20-22)23(24)25-2/h10-11,13-20H,3-9,12H2,1-2H3/b11-10-,14-13-,19-15+