4-acetamido-6-azanyl-cyclohexa-1,3-diene-1-sulfonic acid

Systemtic Name: 4-acetamido-6-azanyl-cyclohexa-1,3-diene-1-sulfonic acid Openeye Name: 4-acetamido-6-amino-cyclohexa-1,3-diene-1-sulfonic acid CAS Name: 4-acetamido-6-amino-1-cyclohexa-1,3-dienesulfonic acid IUPAC Name: 4-acetamido-6-aminocyclohexa-1,3-diene-1-sulfonic acid Traditional Name: 4-acetamido-6-amino-cyclohexa-1,3-diene-1-sulfonic acid Formula: C8H12N2O4S MolecularWeight: 232.25688

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C(C1)N)S(=O)(=O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C(C1)N)S(=O)(=O)O

InChI

InChI=1S/C8H12N2O4S/c1-5(11)10-6-2-3-8(7(9)4-6)15(12,13)14/h2-3,7H,4,9H2,1H3,(H,10,11)(H,12,13,14)