5-azanyl-5-oxidanyl-2-sulfo-cyclohexa-1,3-diene-1-carboxylic acid

Systemtic Name: 5-azanyl-5-oxidanyl-2-sulfo-cyclohexa-1,3-diene-1-carboxylic acid Openeye Name: 5-amino-5-hydroxy-2-sulfo-cyclohexa-1,3-diene-1-carboxylic acid CAS Name: 5-amino-5-hydroxy-2-sulfo-1-cyclohexa-1,3-dienecarboxylic acid IUPAC Name: 5-amino-5-hydroxy-2-sulfocyclohexa-1,3-diene-1-carboxylic acid Traditional Name: 5-amino-5-hydroxy-2-sulfo-cyclohexa-1,3-diene-1-carboxylic acid Formula: C7H9NO6S MolecularWeight: 235.21446

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(C=CC1(N)O)S(=O)(=O)O)C(=O)O

Isomeric SMILES

C1C(=C(C=CC1(N)O)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C7H9NO6S/c8-7(11)2-1-5(15(12,13)14)4(3-7)6(9)10/h1-2,11H,3,8H2,(H,9,10)(H,12,13,14)