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

Systemtic Name: 5-[[5-(2,3-dihydroindol-1-ylsulfonyl)-2-oxidanylidene-3H-indol-1-ium-1-ylidene]methyl]-1H-pyrrole-2-carboxylic acid Openeye Name: 5-[(5-indolin-1-ylsulfonyl-2-oxo-indolin-1-ium-1-ylidene)methyl]-1H-pyrrole-2-carboxylic acid CAS Name: 5-[[5-(2,3-dihydroindol-1-ylsulfonyl)-2-oxo-3H-indol-1-ium-1-ylidene]methyl]-1H-pyrrole-2-carboxylic acid IUPAC Name: 5-[[5-(2,3-dihydroindol-1-ylsulfonyl)-2-oxo-3H-indol-1-ium-1-ylidene]methyl]-1H-pyrrole-2-carboxylic acid Traditional Name: 5-[(5-indolin-1-ylsulfonyl-2-keto-indolin-1-ium-1-ylidene)methyl]-1H-pyrrole-2-carboxylic acid Formula: C22H18N3O5S+ MolecularWeight: 436.46042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC4=C(C=C3)[N+](=CC5=CC=C(N5)C(=O)O)C(=O)C4

Isomeric SMILES

C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC4=C(C=C3)[N+](=CC5=CC=C(N5)C(=O)O)C(=O)C4

InChI

InChI=1S/C22H17N3O5S/c26-21-12-15-11-17(31(29,30)25-10-9-14-3-1-2-4-20(14)25)6-8-19(15)24(21)13-16-5-7-18(23-16)22(27)28/h1-8,11,13H,9-10,12H2,(H,27,28)/p+1