benzene-1,3-dicarboxylic acid; 4-sulfonaphthalene-2,7-dicarboxylic acid

Systemtic Name: benzene-1,3-dicarboxylic acid; 4-sulfonaphthalene-2,7-dicarboxylic acid Openeye Name: isophthalic acid; 4-sulfonaphthalene-2,7-dicarboxylic acid CAS Name: benzene-1,3-dicarboxylic acid; 4-sulfonaphthalene-2,7-dicarboxylic acid IUPAC Name: benzene-1,3-dicarboxylic acid; 4-sulfonaphthalene-2,7-dicarboxylic acid Traditional Name: isophthalic acid; 4-sulfonaphthalene-2,7-dicarboxylic acid Formula: C20H14O11S MolecularWeight: 462.38356

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)O)C(=O)O.C1=CC2=C(C=C(C=C2C=C1C(=O)O)C(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)O)C(=O)O.C1=CC2=C(C=C(C=C2C=C1C(=O)O)C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C12H8O7S.C8H6O4/c13-11(14)6-1-2-9-7(3-6)4-8(12(15)16)5-10(9)20(17,18)19;9-7(10)5-2-1-3-6(4-5)8(11)12/h1-5H,(H,13,14)(H,15,16)(H,17,18,19);1-4H,(H,9,10)(H,11,12)