2-oxidanylidenepropyl 4-(4-methylphenyl)sulfanyl-3-nitro-benzoate

Systemtic Name: 2-oxidanylidenepropyl 4-(4-methylphenyl)sulfanyl-3-nitro-benzoate Openeye Name: acetonyl 3-nitro-4-(p-tolylsulfanyl)benzoate CAS Name: 4-[(4-methylphenyl)thio]-3-nitrobenzoic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl 4-(4-methylphenyl)sulfanyl-3-nitrobenzoate Traditional Name: 3-nitro-4-(p-tolylthio)benzoic acid acetonyl ester Formula: C17H15NO5S MolecularWeight: 345.3697

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)OCC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)OCC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C17H15NO5S/c1-11-3-6-14(7-4-11)24-16-8-5-13(9-15(16)18(21)22)17(20)23-10-12(2)19/h3-9H,10H2,1-2H3