4-(4-carboxy-3-sulfo-phenyl)-2-sulfo-benzoic acid

Systemtic Name: 4-(4-carboxy-3-sulfo-phenyl)-2-sulfo-benzoic acid Openeye Name: 4-(4-carboxy-3-sulfo-phenyl)-2-sulfo-benzoic acid CAS Name: 4-(4-carboxy-3-sulfophenyl)-2-sulfobenzoic acid IUPAC Name: 4-(4-carboxy-3-sulfophenyl)-2-sulfobenzoic acid Traditional Name: 4-(4-carboxy-3-sulfo-phenyl)-2-sulfo-benzoic acid Formula: C14H10O10S2 MolecularWeight: 402.3532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=CC(=C(C=C2)C(=O)O)S(=O)(=O)O)S(=O)(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C2=CC(=C(C=C2)C(=O)O)S(=O)(=O)O)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C14H10O10S2/c15-13(16)9-3-1-7(5-11(9)25(19,20)21)8-2-4-10(14(17)18)12(6-8)26(22,23)24/h1-6H,(H,15,16)(H,17,18)(H,19,20,21)(H,22,23,24)