2-[(6Z)-6-(2-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-1,2-dihydroindazol-3-yl]-3H-benzimidazole-5-sulfonic acid

Systemtic Name: 2-[(6Z)-6-(2-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-1,2-dihydroindazol-3-yl]-3H-benzimidazole-5-sulfonic acid Openeye Name: 2-[(6Z)-6-(2-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)-1,2-dihydroindazol-3-yl]-3H-benzimidazole-5-sulfonic acid CAS Name: 2-[(6Z)-6-(2-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)-1,2-dihydroindazol-3-yl]-3H-benzimidazole-5-sulfonic acid IUPAC Name: 2-[(6Z)-6-(2-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-1,2-dihydroindazol-3-yl]-3H-benzimidazole-5-sulfonic acid Traditional Name: 2-[(6Z)-6-(4-keto-2-methoxy-cyclohexa-2,5-dien-1-ylidene)-1,2-dihydroindazol-3-yl]-3H-benzimidazole-5-sulfonic acid Formula: C21H16N4O5S MolecularWeight: 436.44054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=O)C=CC1=C2C=CC3=C(NNC3=C2)C4=NC5=C(N4)C=C(C=C5)S(=O)(=O)O

Isomeric SMILES

COC\1=CC(=O)C=C/C1=C/2\C=CC3=C(NNC3=C2)C4=NC5=C(N4)C=C(C=C5)S(=O)(=O)O

InChI

InChI=1S/C21H16N4O5S/c1-30-19-9-12(26)3-6-14(19)11-2-5-15-17(8-11)24-25-20(15)21-22-16-7-4-13(31(27,28)29)10-18(16)23-21/h2-10,24-25H,1H3,(H,22,23)(H,27,28,29)/b14-11-