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

Systemtic Name: (2E)-2-(3,5-ditert-butyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1,3-dihydrobenzimidazole-5-sulfonic acid Openeye Name: (2E)-2-(3,5-ditert-butyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)-1,3-dihydrobenzimidazole-5-sulfonic acid CAS Name: (2E)-2-(3,5-ditert-butyl-6-oxo-1-cyclohexa-2,4-dienylidene)-1,3-dihydrobenzimidazole-5-sulfonic acid IUPAC Name: (2E)-2-(3,5-ditert-butyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1,3-dihydrobenzimidazole-5-sulfonic acid Traditional Name: (2E)-2-(3,5-ditert-butyl-6-keto-cyclohexa-2,4-dien-1-ylidene)-1,3-dihydrobenzimidazole-5-sulfonic acid Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4S/c1-20(2,3)12-9-14(18(24)15(10-12)21(4,5)6)19-22-16-8-7-13(28(25,26)27)11-17(16)23-19/h7-11,22-23H,1-6H3,(H,25,26,27)/b19-14+