6-acetamidocyclohexa-2,4-diene-1-sulfonic acid

Systemtic Name: 6-acetamidocyclohexa-2,4-diene-1-sulfonic acid Openeye Name: 6-acetamidocyclohexa-2,4-diene-1-sulfonic acid CAS Name: 6-acetamido-1-cyclohexa-2,4-dienesulfonic acid IUPAC Name: 6-acetamidocyclohexa-2,4-diene-1-sulfonic acid Traditional Name: 6-acetamidocyclohexa-2,4-diene-1-sulfonic acid Formula: C8H11NO4S MolecularWeight: 217.24224

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C=CC=CC1S(=O)(=O)O

Isomeric SMILES

CC(=O)NC1C=CC=CC1S(=O)(=O)O

InChI

InChI=1S/C8H11NO4S/c1-6(10)9-7-4-2-3-5-8(7)14(11,12)13/h2-5,7-8H,1H3,(H,9,10)(H,11,12,13)