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

Systemtic Name: 2-azanyl-3-(3-sulfophenyl)sulfonyl-butanedioic acid Openeye Name: 2-amino-3-(3-sulfophenyl)sulfonyl-butanedioic acid CAS Name: 2-amino-3-(3-sulfophenyl)sulfonylbutanedioic acid IUPAC Name: 2-amino-3-(3-sulfophenyl)sulfonylbutanedioic acid Traditional Name: 2-amino-3-(3-sulfophenyl)sulfonyl-succinic acid Formula: C10H11NO9S2 MolecularWeight: 353.32564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11NO9S2/c11-7(9(12)13)8(10(14)15)21(16,17)5-2-1-3-6(4-5)22(18,19)20/h1-4,7-8H,11H2,(H,12,13)(H,14,15)(H,18,19,20)