2-azanyl-3-(4-oxidanyl-4-sulfo-cyclohexa-2,5-dien-1-yl)propanoic acid

Systemtic Name: 2-azanyl-3-(4-oxidanyl-4-sulfo-cyclohexa-2,5-dien-1-yl)propanoic acid Openeye Name: 2-amino-3-(4-hydroxy-4-sulfo-cyclohexa-2,5-dien-1-yl)propanoic acid CAS Name: 2-amino-3-(4-hydroxy-4-sulfo-1-cyclohexa-2,5-dienyl)propanoic acid IUPAC Name: 2-amino-3-(4-hydroxy-4-sulfocyclohexa-2,5-dien-1-yl)propanoic acid Traditional Name: 2-amino-3-(4-hydroxy-4-sulfo-cyclohexa-2,5-dien-1-yl)propionic acid Formula: C9H13NO6S MolecularWeight: 263.26762

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(C=CC1CC(C(=O)O)N)(O)S(=O)(=O)O

Isomeric SMILES

C1=CC(C=CC1CC(C(=O)O)N)(O)S(=O)(=O)O

InChI

InChI=1S/C9H13NO6S/c10-7(8(11)12)5-6-1-3-9(13,4-2-6)17(14,15)16/h1-4,6-7,13H,5,10H2,(H,11,12)(H,14,15,16)