methyl 2-(7,7-diphenylhept-6-enoylsulfanyl)benzoate

Systemtic Name: methyl 2-(7,7-diphenylhept-6-enoylsulfanyl)benzoate Openeye Name: methyl 2-(7,7-diphenylhept-6-enoylsulfanyl)benzoate CAS Name: 2-[(1-oxo-7,7-diphenylhept-6-enyl)thio]benzoic acid methyl ester IUPAC Name: methyl 2-(7,7-diphenylhept-6-enoylsulfanyl)benzoate Traditional Name: 2-(7,7-diphenylhept-6-enoylthio)benzoic acid methyl ester Formula: C27H26O3S MolecularWeight: 430.55854

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1SC(=O)CCCCC=C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=CC=C1SC(=O)CCCCC=C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C27H26O3S/c1-30-27(29)24-18-11-12-19-25(24)31-26(28)20-10-4-9-17-23(21-13-5-2-6-14-21)22-15-7-3-8-16-22/h2-3,5-8,11-19H,4,9-10,20H2,1H3