4-azanyl-1,3-dimethoxy-cyclohexa-2,5-diene-1-sulfonic acid

Systemtic Name: 4-azanyl-1,3-dimethoxy-cyclohexa-2,5-diene-1-sulfonic acid Openeye Name: 4-amino-1,3-dimethoxy-cyclohexa-2,5-diene-1-sulfonic acid CAS Name: 4-amino-1,3-dimethoxy-1-cyclohexa-2,5-dienesulfonic acid IUPAC Name: 4-amino-1,3-dimethoxycyclohexa-2,5-diene-1-sulfonic acid Traditional Name: 4-amino-1,3-dimethoxy-cyclohexa-2,5-diene-1-sulfonic acid Formula: C8H13NO5S MolecularWeight: 235.25752

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(C=CC1N)(OC)S(=O)(=O)O

Isomeric SMILES

COC1=CC(C=CC1N)(OC)S(=O)(=O)O

InChI

InChI=1S/C8H13NO5S/c1-13-7-5-8(14-2,15(10,11)12)4-3-6(7)9/h3-6H,9H2,1-2H3,(H,10,11,12)