hexyl 4-(4-cyanophenyl)sulfanylcarbonylbenzoate

Systemtic Name: hexyl 4-(4-cyanophenyl)sulfanylcarbonylbenzoate Openeye Name: hexyl 4-(4-cyanophenyl)sulfanylcarbonylbenzoate CAS Name: 4-[[(4-cyanophenyl)thio]-oxomethyl]benzoic acid hexyl ester IUPAC Name: hexyl 4-(4-cyanophenyl)sulfanylcarbonylbenzoate Traditional Name: 4-[(4-cyanophenyl)thio]carbonylbenzoic acid hexyl ester Formula: C21H21NO3S MolecularWeight: 367.46134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO3S/c1-2-3-4-5-14-25-20(23)17-8-10-18(11-9-17)21(24)26-19-12-6-16(15-22)7-13-19/h6-13H,2-5,14H2,1H3