(4-chloranyl-3,5-dimethyl-phenyl) 2-(4-nitrophenyl)sulfanylbenzoate

Systemtic Name: (4-chloranyl-3,5-dimethyl-phenyl) 2-(4-nitrophenyl)sulfanylbenzoate Openeye Name: (4-chloro-3,5-dimethyl-phenyl) 2-(4-nitrophenyl)sulfanylbenzoate CAS Name: 2-[(4-nitrophenyl)thio]benzoic acid (4-chloro-3,5-dimethylphenyl) ester IUPAC Name: (4-chloro-3,5-dimethylphenyl) 2-(4-nitrophenyl)sulfanylbenzoate Traditional Name: 2-[(4-nitrophenyl)thio]benzoic acid (4-chloro-3,5-dimethyl-phenyl) ester Formula: C21H16ClNO4S MolecularWeight: 413.87404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC(=O)C2=CC=CC=C2SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC(=O)C2=CC=CC=C2SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H16ClNO4S/c1-13-11-16(12-14(2)20(13)22)27-21(24)18-5-3-4-6-19(18)28-17-9-7-15(8-10-17)23(25)26/h3-12H,1-2H3