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

Systemtic Name: 5-[[5-methyl-6,8-bis(oxidanyl)naphthalen-2-yl]sulfonylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[(6,8-dihydroxy-5-methyl-2-naphthyl)sulfonylamino]benzene-1,3-dicarboxylic acid CAS Name: 5-[(6,8-dihydroxy-5-methyl-2-naphthalenyl)sulfonylamino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[(6,8-dihydroxy-5-methylnaphthalen-2-yl)sulfonylamino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[(6,8-dihydroxy-5-methyl-2-naphthyl)sulfonylamino]isophthalic acid Formula: C19H15NO8S MolecularWeight: 417.3893

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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)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)O)O

InChI

InChI=1S/C19H15NO8S/c1-9-14-3-2-13(7-15(14)17(22)8-16(9)21)29(27,28)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)