2-[(5-azanyl-6-chloranyl-6-sulfo-cyclohexa-2,4-dien-1-yl)amino]ethanoic acid

Systemtic Name: 2-[(5-azanyl-6-chloranyl-6-sulfo-cyclohexa-2,4-dien-1-yl)amino]ethanoic acid Openeye Name: 2-[(5-amino-6-chloro-6-sulfo-cyclohexa-2,4-dien-1-yl)amino]acetic acid CAS Name: 2-[(5-amino-6-chloro-6-sulfo-1-cyclohexa-2,4-dienyl)amino]acetic acid IUPAC Name: 2-[(5-amino-6-chloro-6-sulfocyclohexa-2,4-dien-1-yl)amino]acetic acid Traditional Name: 2-[(5-amino-6-chloro-6-sulfo-cyclohexa-2,4-dien-1-yl)amino]acetic acid Formula: C8H11ClN2O5S MolecularWeight: 282.70134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H11ClN2O5S/c9-8(17(14,15)16)5(10)2-1-3-6(8)11-4-7(12)13/h1-3,6,11H,4,10H2,(H,12,13)(H,14,15,16)