methyl 4-[(1E,3Z)-pentadeca-1,3-dien-6-ynyl]sulfanylbenzoate

Systemtic Name: methyl 4-[(1E,3Z)-pentadeca-1,3-dien-6-ynyl]sulfanylbenzoate Openeye Name: methyl 4-[(1E,3Z)-pentadeca-1,3-dien-6-ynyl]sulfanylbenzoate CAS Name: 4-[[(1E,3Z)-pentadeca-1,3-dien-6-ynyl]thio]benzoic acid methyl ester IUPAC Name: methyl 4-[(1E,3Z)-pentadeca-1,3-dien-6-ynyl]sulfanylbenzoate Traditional Name: 4-[[(1E,3Z)-pentadeca-1,3-dien-6-ynyl]thio]benzoic acid methyl ester Formula: C23H30O2S MolecularWeight: 370.5481

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCC#CC/C=C\C=C\SC1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C23H30O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-26-22-18-16-21(17-19-22)23(24)25-2/h13-20H,3-9,12H2,1-2H3/b14-13-,20-15+