5-[2,3-dihydroindol-1-ium-1-ylidene-[(3-methyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl)methylsulfonyl]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid

Systemtic Name: 5-[2,3-dihydroindol-1-ium-1-ylidene-[(3-methyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl)methylsulfonyl]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid Openeye Name: 5-[indolin-1-ium-1-ylidene-[(3-methyl-4-oxo-cyclohexa-1,5-dien-1-yl)methylsulfonyl]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid CAS Name: 5-[2,3-dihydroindol-1-ium-1-ylidene-[(3-methyl-4-oxo-1-cyclohexa-1,5-dienyl)methylsulfonyl]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid IUPAC Name: 5-[2,3-dihydroindol-1-ium-1-ylidene-[(3-methyl-4-oxocyclohexa-1,5-dien-1-yl)methylsulfonyl]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid Traditional Name: 5-[indolin-1-ium-1-ylidene-[(4-keto-3-methyl-cyclohexa-1,5-dien-1-yl)methylsulfonyl]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid Formula: C24H25N2O5S+ MolecularWeight: 453.5307

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(C=CC1=O)CS(=O)(=O)C(=[N+]2CCC3=CC=CC=C32)C4=C(C(=C(N4)C)C(=O)O)C

Isomeric SMILES

CC1C=C(C=CC1=O)CS(=O)(=O)C(=[N+]2CCC3=CC=CC=C32)C4=C(C(=C(N4)C)C(=O)O)C

InChI

InChI=1S/C24H24N2O5S/c1-14-12-17(8-9-20(14)27)13-32(30,31)23(22-15(2)21(24(28)29)16(3)25-22)26-11-10-18-6-4-5-7-19(18)26/h4-9,12,14H,10-11,13H2,1-3H3,(H,28,29)/p+1