4-methyl-3-oxidanyl-7-[(3-sulfophenyl)sulfamoyl]naphthalene-1-carboxylic acid

Systemtic Name: 4-methyl-3-oxidanyl-7-[(3-sulfophenyl)sulfamoyl]naphthalene-1-carboxylic acid Openeye Name: 3-hydroxy-4-methyl-7-[(3-sulfophenyl)sulfamoyl]naphthalene-1-carboxylic acid CAS Name: 3-hydroxy-4-methyl-7-[(3-sulfophenyl)sulfamoyl]-1-naphthalenecarboxylic acid IUPAC Name: 3-hydroxy-4-methyl-7-[(3-sulfophenyl)sulfamoyl]naphthalene-1-carboxylic acid Traditional Name: 3-hydroxy-4-methyl-7-[(3-sulfophenyl)sulfamoyl]-1-naphthoic acid Formula: C18H15NO8S2 MolecularWeight: 437.4436

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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)S(=O)(=O)O)C(=O)O)O

Isomeric SMILES

CC1=C(C=C(C2=C1C=CC(=C2)S(=O)(=O)NC3=CC(=CC=C3)S(=O)(=O)O)C(=O)O)O

InChI

InChI=1S/C18H15NO8S2/c1-10-14-6-5-12(8-15(14)16(18(21)22)9-17(10)20)28(23,24)19-11-3-2-4-13(7-11)29(25,26)27/h2-9,19-20H,1H3,(H,21,22)(H,25,26,27)