2,4-dimethyl-5-[[2-oxidanylidene-5-[(2-phenylphenyl)methylsulfonyl]-3H-indol-1-ium-1-ylidene]methyl]-1H-pyrrole-3-carboxylic acid

Systemtic Name: 2,4-dimethyl-5-[[2-oxidanylidene-5-[(2-phenylphenyl)methylsulfonyl]-3H-indol-1-ium-1-ylidene]methyl]-1H-pyrrole-3-carboxylic acid Openeye Name: 2,4-dimethyl-5-[[2-oxo-5-[(2-phenylphenyl)methylsulfonyl]indolin-1-ium-1-ylidene]methyl]-1H-pyrrole-3-carboxylic acid CAS Name: 2,4-dimethyl-5-[[2-oxo-5-[(2-phenylphenyl)methylsulfonyl]-3H-indol-1-ium-1-ylidene]methyl]-1H-pyrrole-3-carboxylic acid IUPAC Name: 2,4-dimethyl-5-[[2-oxo-5-[(2-phenylphenyl)methylsulfonyl]-3H-indol-1-ium-1-ylidene]methyl]-1H-pyrrole-3-carboxylic acid Traditional Name: 5-[[2-keto-5-(2-phenylbenzyl)sulfonyl-indolin-1-ium-1-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid Formula: C29H25N2O5S+ MolecularWeight: 513.5842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)O)C)C=[N+]2C(=O)CC3=C2C=CC(=C3)S(=O)(=O)CC4=CC=CC=C4C5=CC=CC=C5

Isomeric SMILES

CC1=C(NC(=C1C(=O)O)C)C=[N+]2C(=O)CC3=C2C=CC(=C3)S(=O)(=O)CC4=CC=CC=C4C5=CC=CC=C5

InChI

InChI=1S/C29H24N2O5S/c1-18-25(30-19(2)28(18)29(33)34)16-31-26-13-12-23(14-22(26)15-27(31)32)37(35,36)17-21-10-6-7-11-24(21)20-8-4-3-5-9-20/h3-14,16H,15,17H2,1-2H3,(H,33,34)/p+1