5-[[6-[(3,5-disulfophenyl)carbamoyl]-5-oxidanyl-naphthalen-1-yl]sulfamoyl]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[[6-[(3,5-disulfophenyl)carbamoyl]-5-oxidanyl-naphthalen-1-yl]sulfamoyl]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[6-[(3,5-disulfophenyl)carbamoyl]-5-hydroxy-1-naphthyl]sulfamoyl]benzene-1,3-dicarboxylic acid CAS Name: 5-[[6-[(3,5-disulfoanilino)-oxomethyl]-5-hydroxy-1-naphthalenyl]sulfamoyl]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[6-[(3,5-disulfophenyl)carbamoyl]-5-hydroxynaphthalen-1-yl]sulfamoyl]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[6-[(3,5-disulfophenyl)carbamoyl]-5-hydroxy-1-naphthyl]sulfamoyl]isophthalic acid Formula: C25H18N2O14S3 MolecularWeight: 666.61042

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2O)C(=O)NC3=CC(=CC(=C3)S(=O)(=O)O)S(=O)(=O)O)C(=C1)NS(=O)(=O)C4=CC(=CC(=C4)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC2=C(C=CC(=C2O)C(=O)NC3=CC(=CC(=C3)S(=O)(=O)O)S(=O)(=O)O)C(=C1)NS(=O)(=O)C4=CC(=CC(=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C25H18N2O14S3/c28-22-19-2-1-3-21(27-42(34,35)15-7-12(24(30)31)6-13(8-15)25(32)33)18(19)4-5-20(22)23(29)26-14-9-16(43(36,37)38)11-17(10-14)44(39,40)41/h1-11,27-28H,(H,26,29)(H,30,31)(H,32,33)(H,36,37,38)(H,39,40,41)