3,3-bis(azanyl)-4-methoxy-cyclohexa-1,5-diene-1-sulfonic acid

Systemtic Name: 3,3-bis(azanyl)-4-methoxy-cyclohexa-1,5-diene-1-sulfonic acid Openeye Name: 3,3-diamino-4-methoxy-cyclohexa-1,5-diene-1-sulfonic acid CAS Name: 3,3-diamino-4-methoxy-1-cyclohexa-1,5-dienesulfonic acid IUPAC Name: 3,3-diamino-4-methoxycyclohexa-1,5-diene-1-sulfonic acid Traditional Name: 3,3-diamino-4-methoxy-cyclohexa-1,5-diene-1-sulfonic acid Formula: C7H12N2O4S MolecularWeight: 220.24618

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Descriptors Computed from Structure

Canonical SMILES:

COC1C=CC(=CC1(N)N)S(=O)(=O)O

Isomeric SMILES

COC1C=CC(=CC1(N)N)S(=O)(=O)O

InChI

InChI=1S/C7H12N2O4S/c1-13-6-3-2-5(14(10,11)12)4-7(6,8)9/h2-4,6H,8-9H2,1H3,(H,10,11,12)