1-azanyl-4-sulfo-cyclohexa-2,4-diene-1-carboxylic acid

Systemtic Name: 1-azanyl-4-sulfo-cyclohexa-2,4-diene-1-carboxylic acid Openeye Name: 1-amino-4-sulfo-cyclohexa-2,4-diene-1-carboxylic acid CAS Name: 1-amino-4-sulfo-1-cyclohexa-2,4-dienecarboxylic acid IUPAC Name: 1-amino-4-sulfocyclohexa-2,4-diene-1-carboxylic acid Traditional Name: 1-amino-4-sulfo-cyclohexa-2,4-diene-1-carboxylic acid Formula: C7H9NO5S MolecularWeight: 219.21506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H9NO5S/c8-7(6(9)10)3-1-5(2-4-7)14(11,12)13/h1-3H,4,8H2,(H,9,10)(H,11,12,13)