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

Systemtic Name: 5-[[5-[(2-iodanylphenyl)methylsulfonyl]-2-oxidanylidene-3H-indol-1-ium-1-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid Openeye Name: 5-[[5-[(2-iodophenyl)methylsulfonyl]-2-oxo-indolin-1-ium-1-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid CAS Name: 5-[[5-[(2-iodophenyl)methylsulfonyl]-2-oxo-3H-indol-1-ium-1-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid IUPAC Name: 5-[[5-[(2-iodophenyl)methylsulfonyl]-2-oxo-3H-indol-1-ium-1-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid Traditional Name: 5-[[5-(2-iodobenzyl)sulfonyl-2-keto-indolin-1-ium-1-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid Formula: C23H20IN2O5S+ MolecularWeight: 563.38477

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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=C4I

Isomeric SMILES

CC1=C(NC(=C1C(=O)O)C)C=[N+]2C(=O)CC3=C2C=CC(=C3)S(=O)(=O)CC4=CC=CC=C4I

InChI

InChI=1S/C23H19IN2O5S/c1-13-19(25-14(2)22(13)23(28)29)11-26-20-8-7-17(9-16(20)10-21(26)27)32(30,31)12-15-5-3-4-6-18(15)24/h3-9,11H,10,12H2,1-2H3,(H,28,29)/p+1