2-methyl-5-(4-nitrophenyl)carbonyl-benzenesulfonic acid

Systemtic Name: 2-methyl-5-(4-nitrophenyl)carbonyl-benzenesulfonic acid Openeye Name: 2-methyl-5-(4-nitrobenzoyl)benzenesulfonic acid CAS Name: 2-methyl-5-[(4-nitrophenyl)-oxomethyl]benzenesulfonic acid IUPAC Name: 2-methyl-5-(4-nitrobenzoyl)benzenesulfonic acid Traditional Name: 2-methyl-5-(4-nitrobenzoyl)besylic acid Formula: C14H11NO6S MolecularWeight: 321.30524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11NO6S/c1-9-2-3-11(8-13(9)22(19,20)21)14(16)10-4-6-12(7-5-10)15(17)18/h2-8H,1H3,(H,19,20,21)