2-[[3-[(2,6-dicarboxyphenyl)sulfamoyl]phenyl]sulfonylamino]-4-sulfo-benzene-1,3-dicarboxylic acid

Systemtic Name: 2-[[3-[(2,6-dicarboxyphenyl)sulfamoyl]phenyl]sulfonylamino]-4-sulfo-benzene-1,3-dicarboxylic acid Openeye Name: 2-[[3-[(2,6-dicarboxyphenyl)sulfamoyl]phenyl]sulfonylamino]-4-sulfo-benzene-1,3-dicarboxylic acid CAS Name: 2-[[3-[(2,6-dicarboxyphenyl)sulfamoyl]phenyl]sulfonylamino]-4-sulfobenzene-1,3-dicarboxylic acid IUPAC Name: 2-[[3-[(2,6-dicarboxyphenyl)sulfamoyl]phenyl]sulfonylamino]-4-sulfobenzene-1,3-dicarboxylic acid Traditional Name: 2-[[3-[(2,6-dicarboxyphenyl)sulfamoyl]phenyl]sulfonylamino]-4-sulfo-isophthalic acid Formula: C22H16N2O15S3 MolecularWeight: 644.56184

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)NC2=C(C=CC(=C2C(=O)O)S(=O)(=O)O)C(=O)O)S(=O)(=O)NC3=C(C=CC=C3C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)NC2=C(C=CC(=C2C(=O)O)S(=O)(=O)O)C(=O)O)S(=O)(=O)NC3=C(C=CC=C3C(=O)O)C(=O)O

InChI

InChI=1S/C22H16N2O15S3/c25-19(26)12-5-2-6-13(20(27)28)17(12)23-40(33,34)10-3-1-4-11(9-10)41(35,36)24-18-14(21(29)30)7-8-15(42(37,38)39)16(18)22(31)32/h1-9,23-24H,(H,25,26)(H,27,28)(H,29,30)(H,31,32)(H,37,38,39)