2-azanyl-5-(4-azanyl-2,5-dicarboxy-phenyl)sulfonyl-terephthalic acid

Systemtic Name: 2-azanyl-5-(4-azanyl-2,5-dicarboxy-phenyl)sulfonyl-terephthalic acid Openeye Name: 2-amino-5-(4-amino-2,5-dicarboxy-phenyl)sulfonyl-terephthalic acid CAS Name: 2-amino-5-(4-amino-2,5-dicarboxyphenyl)sulfonylterephthalic acid IUPAC Name: 2-amino-5-(4-amino-2,5-dicarboxyphenyl)sulfonylterephthalic acid Traditional Name: 2-amino-5-(4-amino-2,5-dicarboxy-phenyl)sulfonyl-terephthalic acid Formula: C16H12N2O10S MolecularWeight: 424.33888

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1N)C(=O)O)S(=O)(=O)C2=CC(=C(C=C2C(=O)O)N)C(=O)O)C(=O)O

Isomeric SMILES

C1=C(C(=CC(=C1N)C(=O)O)S(=O)(=O)C2=CC(=C(C=C2C(=O)O)N)C(=O)O)C(=O)O

InChI

InChI=1S/C16H12N2O10S/c17-9-1-7(15(23)24)11(3-5(9)13(19)20)29(27,28)12-4-6(14(21)22)10(18)2-8(12)16(25)26/h1-4H,17-18H2,(H,19,20)(H,21,22)(H,23,24)(H,25,26)