ethanoyl 2-(3-nitro-4-phenylsulfanyl-phenyl)carbonylbenzoate

Systemtic Name: ethanoyl 2-(3-nitro-4-phenylsulfanyl-phenyl)carbonylbenzoate Openeye Name: acetyl 2-(3-nitro-4-phenylsulfanyl-benzoyl)benzoate CAS Name: 2-[[3-nitro-4-(phenylthio)phenyl]-oxomethyl]benzoic acid acetyl ester IUPAC Name: acetyl 2-(3-nitro-4-phenylsulfanylbenzoyl)benzoate Traditional Name: 2-[3-nitro-4-(phenylthio)benzoyl]benzoic acid acetyl ester Formula: C22H15NO6S MolecularWeight: 421.4226

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(=O)C1=CC=CC=C1C(=O)C2=CC(=C(C=C2)SC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OC(=O)C1=CC=CC=C1C(=O)C2=CC(=C(C=C2)SC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H15NO6S/c1-14(24)29-22(26)18-10-6-5-9-17(18)21(25)15-11-12-20(19(13-15)23(27)28)30-16-7-3-2-4-8-16/h2-13H,1H3