3-azanyl-2-(3-sulfophenyl)sulfonyl-pentanedioic acid

Systemtic Name: 3-azanyl-2-(3-sulfophenyl)sulfonyl-pentanedioic acid Openeye Name: 3-amino-2-(3-sulfophenyl)sulfonyl-pentanedioic acid CAS Name: 3-amino-2-(3-sulfophenyl)sulfonylpentanedioic acid IUPAC Name: 3-amino-2-(3-sulfophenyl)sulfonylpentanedioic acid Traditional Name: 3-amino-2-(3-sulfophenyl)sulfonyl-glutaric acid Formula: C11H13NO9S2 MolecularWeight: 367.35222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)O)S(=O)(=O)C(C(CC(=O)O)N)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)O)S(=O)(=O)C(C(CC(=O)O)N)C(=O)O

InChI

InChI=1S/C11H13NO9S2/c12-8(5-9(13)14)10(11(15)16)22(17,18)6-2-1-3-7(4-6)23(19,20)21/h1-4,8,10H,5,12H2,(H,13,14)(H,15,16)(H,19,20,21)