5-[(5-methyl-8-nitro-6-oxidanyl-naphthalen-2-yl)sulfonylamino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[(5-methyl-8-nitro-6-oxidanyl-naphthalen-2-yl)sulfonylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[(6-hydroxy-5-methyl-8-nitro-2-naphthyl)sulfonylamino]benzene-1,3-dicarboxylic acid CAS Name: 5-[(6-hydroxy-5-methyl-8-nitro-2-naphthalenyl)sulfonylamino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[(6-hydroxy-5-methyl-8-nitronaphthalen-2-yl)sulfonylamino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[(6-hydroxy-5-methyl-8-nitro-2-naphthyl)sulfonylamino]isophthalic acid Formula: C19H14N2O9S MolecularWeight: 446.38746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C2=C1C=CC(=C2)S(=O)(=O)NC3=CC(=CC(=C3)C(=O)O)C(=O)O)[N+](=O)[O-])O

Isomeric SMILES

CC1=C(C=C(C2=C1C=CC(=C2)S(=O)(=O)NC3=CC(=CC(=C3)C(=O)O)C(=O)O)[N+](=O)[O-])O

InChI

InChI=1S/C19H14N2O9S/c1-9-14-3-2-13(7-15(14)16(21(27)28)8-17(9)22)31(29,30)20-12-5-10(18(23)24)4-11(6-12)19(25)26/h2-8,20,22H,1H3,(H,23,24)(H,25,26)