2-azanyl-4-(2-oxidanyl-1-sulfino-ethyl)benzoic acid

Systemtic Name: 2-azanyl-4-(2-oxidanyl-1-sulfino-ethyl)benzoic acid Openeye Name: 2-amino-4-(2-hydroxy-1-sulfino-ethyl)benzoic acid CAS Name: 2-amino-4-(2-hydroxy-1-sulfinoethyl)benzoic acid IUPAC Name: 2-amino-4-(2-hydroxy-1-sulfinoethyl)benzoic acid Traditional Name: 2-amino-4-(2-hydroxy-1-sulfino-ethyl)benzoic acid Formula: C9H11NO5S MolecularWeight: 245.25234

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(CO)S(=O)O)N)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C(CO)S(=O)O)N)C(=O)O

InChI

InChI=1S/C9H11NO5S/c10-7-3-5(8(4-11)16(14)15)1-2-6(7)9(12)13/h1-3,8,11H,4,10H2,(H,12,13)(H,14,15)