octyl 4-(4-cyanophenyl)sulfanylcarbonylbenzoate

Systemtic Name: octyl 4-(4-cyanophenyl)sulfanylcarbonylbenzoate Openeye Name: octyl 4-(4-cyanophenyl)sulfanylcarbonylbenzoate CAS Name: 4-[[(4-cyanophenyl)thio]-oxomethyl]benzoic acid octyl ester IUPAC Name: octyl 4-(4-cyanophenyl)sulfanylcarbonylbenzoate Traditional Name: 4-[(4-cyanophenyl)thio]carbonylbenzoic acid octyl ester Formula: C23H25NO3S MolecularWeight: 395.5145

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC=C(C=C1)C(=O)SC2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCCCCCOC(=O)C1=CC=C(C=C1)C(=O)SC2=CC=C(C=C2)C#N

InChI

InChI=1S/C23H25NO3S/c1-2-3-4-5-6-7-16-27-22(25)19-10-12-20(13-11-19)23(26)28-21-14-8-18(17-24)9-15-21/h8-15H,2-7,16H2,1H3