3-methylsulfanyl-5-nitro-4-(phenylcarbonyl)benzoic acid

Systemtic Name: 3-methylsulfanyl-5-nitro-4-(phenylcarbonyl)benzoic acid Openeye Name: 4-benzoyl-3-methylsulfanyl-5-nitro-benzoic acid CAS Name: 4-benzoyl-3-(methylthio)-5-nitrobenzoic acid IUPAC Name: 4-benzoyl-3-methylsulfanyl-5-nitrobenzoic acid Traditional Name: 4-benzoyl-3-(methylthio)-5-nitro-benzoic acid Formula: C15H11NO5S MolecularWeight: 317.31654

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=CC(=C1C(=O)C2=CC=CC=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CSC1=CC(=CC(=C1C(=O)C2=CC=CC=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C15H11NO5S/c1-22-12-8-10(15(18)19)7-11(16(20)21)13(12)14(17)9-5-3-2-4-6-9/h2-8H,1H3,(H,18,19)