4-cyclohexa-2,4-dien-1-yl-1H-benzimidazole-2-sulfonic acid

Systemtic Name: 4-cyclohexa-2,4-dien-1-yl-1H-benzimidazole-2-sulfonic acid Openeye Name: 4-cyclohexa-2,4-dien-1-yl-1H-benzimidazole-2-sulfonic acid CAS Name: 4-(1-cyclohexa-2,4-dienyl)-1H-benzimidazole-2-sulfonic acid IUPAC Name: 4-cyclohexa-2,4-dien-1-yl-1H-benzimidazole-2-sulfonic acid Traditional Name: 4-cyclohexa-2,4-dien-1-yl-1H-benzimidazole-2-sulfonic acid Formula: C13H12N2O3S MolecularWeight: 276.31098

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=CC1C2=C3C(=CC=C2)NC(=N3)S(=O)(=O)O

Isomeric SMILES

C1C=CC=CC1C2=C3C(=CC=C2)NC(=N3)S(=O)(=O)O

InChI

InChI=1S/C13H12N2O3S/c16-19(17,18)13-14-11-8-4-7-10(12(11)15-13)9-5-2-1-3-6-9/h1-5,7-9H,6H2,(H,14,15)(H,16,17,18)