5-[[5-[(5-bromanyl-2,3-dihydroindol-1-yl)sulfonyl]-2-oxidanylidene-3H-indol-1-ium-1-ylidene]methyl]-1H-pyrrole-2-carboxylic acid

Systemtic Name: 5-[[5-[(5-bromanyl-2,3-dihydroindol-1-yl)sulfonyl]-2-oxidanylidene-3H-indol-1-ium-1-ylidene]methyl]-1H-pyrrole-2-carboxylic acid Openeye Name: 5-[[5-(5-bromoindolin-1-yl)sulfonyl-2-oxo-indolin-1-ium-1-ylidene]methyl]-1H-pyrrole-2-carboxylic acid CAS Name: 5-[[5-[(5-bromo-2,3-dihydroindol-1-yl)sulfonyl]-2-oxo-3H-indol-1-ium-1-ylidene]methyl]-1H-pyrrole-2-carboxylic acid IUPAC Name: 5-[[5-[(5-bromo-2,3-dihydroindol-1-yl)sulfonyl]-2-oxo-3H-indol-1-ium-1-ylidene]methyl]-1H-pyrrole-2-carboxylic acid Traditional Name: 5-[[5-(5-bromoindolin-1-yl)sulfonyl-2-keto-indolin-1-ium-1-ylidene]methyl]-1H-pyrrole-2-carboxylic acid Formula: C22H17BrN3O5S+ MolecularWeight: 515.35648

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C1C=C(C=C2)Br)S(=O)(=O)C3=CC4=C(C=C3)[N+](=CC5=CC=C(N5)C(=O)O)C(=O)C4

Isomeric SMILES

C1CN(C2=C1C=C(C=C2)Br)S(=O)(=O)C3=CC4=C(C=C3)[N+](=CC5=CC=C(N5)C(=O)O)C(=O)C4

InChI

InChI=1S/C22H16BrN3O5S/c23-15-1-5-20-13(9-15)7-8-26(20)32(30,31)17-3-6-19-14(10-17)11-21(27)25(19)12-16-2-4-18(24-16)22(28)29/h1-6,9-10,12H,7-8,11H2,(H,28,29)/p+1