5-[[4-[(8-oxidanyl-3,6-disulfo-naphthalen-1-yl)carbamoyl]phenyl]carbamoyl]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[[4-[(8-oxidanyl-3,6-disulfo-naphthalen-1-yl)carbamoyl]phenyl]carbamoyl]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[4-[(8-hydroxy-3,6-disulfo-1-naphthyl)carbamoyl]phenyl]carbamoyl]benzene-1,3-dicarboxylic acid CAS Name: 5-[[4-[[(8-hydroxy-3,6-disulfo-1-naphthalenyl)amino]-oxomethyl]anilino]-oxomethyl]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[4-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)carbamoyl]phenyl]carbamoyl]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[4-[(8-hydroxy-3,6-disulfo-1-naphthyl)carbamoyl]phenyl]carbamoyl]isophthalic acid Formula: C26H18N2O13S2 MolecularWeight: 630.55672

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3O)S(=O)(=O)O)NC(=O)C4=CC(=CC(=C4)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3O)S(=O)(=O)O)NC(=O)C4=CC(=CC(=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C26H18N2O13S2/c29-21-11-19(43(39,40)41)9-13-8-18(42(36,37)38)10-20(22(13)21)28-23(30)12-1-3-17(4-2-12)27-24(31)14-5-15(25(32)33)7-16(6-14)26(34)35/h1-11,29H,(H,27,31)(H,28,30)(H,32,33)(H,34,35)(H,36,37,38)(H,39,40,41)