hexyl 4-(4-nitrophenyl)sulfanylcarbonylbenzoate

Systemtic Name: hexyl 4-(4-nitrophenyl)sulfanylcarbonylbenzoate Openeye Name: hexyl 4-(4-nitrophenyl)sulfanylcarbonylbenzoate CAS Name: 4-[[(4-nitrophenyl)thio]-oxomethyl]benzoic acid hexyl ester IUPAC Name: hexyl 4-(4-nitrophenyl)sulfanylcarbonylbenzoate Traditional Name: 4-[(4-nitrophenyl)thio]carbonylbenzoic acid hexyl ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC=C(C=C1)C(=O)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCOC(=O)C1=CC=C(C=C1)C(=O)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H21NO5S/c1-2-3-4-5-14-26-19(22)15-6-8-16(9-7-15)20(23)27-18-12-10-17(11-13-18)21(24)25/h6-13H,2-5,14H2,1H3