(2E)-2-(5-tert-butyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1,3-dihydrobenzimidazole-5-sulfonic acid

Systemtic Name: (2E)-2-(5-tert-butyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1,3-dihydrobenzimidazole-5-sulfonic acid Openeye Name: (2E)-2-(5-tert-butyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)-1,3-dihydrobenzimidazole-5-sulfonic acid CAS Name: (2E)-2-(5-tert-butyl-6-oxo-1-cyclohexa-2,4-dienylidene)-1,3-dihydrobenzimidazole-5-sulfonic acid IUPAC Name: (2E)-2-(5-tert-butyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1,3-dihydrobenzimidazole-5-sulfonic acid Traditional Name: (2E)-2-(5-tert-butyl-6-keto-cyclohexa-2,4-dien-1-ylidene)-1,3-dihydrobenzimidazole-5-sulfonic acid Formula: C17H18N2O4S MolecularWeight: 346.40082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC(=C2NC3=C(N2)C=C(C=C3)S(=O)(=O)O)C1=O

Isomeric SMILES

CC(C)(C)C1=CC=C/C(=C\2/NC3=C(N2)C=C(C=C3)S(=O)(=O)O)/C1=O

InChI

InChI=1S/C17H18N2O4S/c1-17(2,3)12-6-4-5-11(15(12)20)16-18-13-8-7-10(24(21,22)23)9-14(13)19-16/h4-9,18-19H,1-3H3,(H,21,22,23)/b16-11+