2-[4-ethoxy-3-methyl-2-(sulfosulfanylmethyl)pyridin-1-ium-1-yl]-5,5,7,7-tetramethyl-6-oxidanylidene-3H-cyclopenta[f]benzimidazole

Systemtic Name: 2-[4-ethoxy-3-methyl-2-(sulfosulfanylmethyl)pyridin-1-ium-1-yl]-5,5,7,7-tetramethyl-6-oxidanylidene-3H-cyclopenta[f]benzimidazole Openeye Name: 2-[4-ethoxy-3-methyl-2-(sulfosulfanylmethyl)pyridin-1-ium-1-yl]-5,5,7,7-tetramethyl-6-oxo-3H-cyclopenta[f]benzimidazole CAS Name: 2-[4-ethoxy-3-methyl-2-[(sulfothio)methyl]-1-pyridin-1-iumyl]-5,5,7,7-tetramethyl-6-oxo-3H-cyclopenta[f]benzimidazole IUPAC Name: 2-[4-ethoxy-3-methyl-2-(sulfosulfanylmethyl)pyridin-1-ium-1-yl]-5,5,7,7-tetramethyl-6-oxo-3H-cyclopenta[f]benzimidazole Traditional Name: 2-[4-ethoxy-3-methyl-2-[(sulfothio)methyl]pyridin-1-ium-1-yl]-6-keto-5,5,7,7-tetramethyl-3H-cyclopenta[f]benzimidazole Formula: C23H28N3O5S2+ MolecularWeight: 490.61552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=[N+](C=C1)C2=NC3=C(N2)C=C4C(=C3)C(C(=O)C4(C)C)(C)C)CSS(=O)(=O)O)C

Isomeric SMILES

CCOC1=C(C(=[N+](C=C1)C2=NC3=C(N2)C=C4C(=C3)C(C(=O)C4(C)C)(C)C)CSS(=O)(=O)O)C

InChI

InChI=1S/C23H27N3O5S2/c1-7-31-19-8-9-26(18(13(19)2)12-32-33(28,29)30)21-24-16-10-14-15(11-17(16)25-21)23(5,6)20(27)22(14,3)4/h8-11H,7,12H2,1-6H3,(H-,24,25,28,29,30)/p+1