1-[(3-methyl-1H-indol-2-yl)methylidene]-2-oxidanylidene-3H-indol-1-ium-5-sulfonic acid

Systemtic Name: 1-[(3-methyl-1H-indol-2-yl)methylidene]-2-oxidanylidene-3H-indol-1-ium-5-sulfonic acid Openeye Name: 1-[(3-methyl-1H-indol-2-yl)methylene]-2-oxo-indolin-1-ium-5-sulfonic acid CAS Name: 1-[(3-methyl-1H-indol-2-yl)methylidene]-2-oxo-3H-indol-1-ium-5-sulfonic acid IUPAC Name: 1-[(3-methyl-1H-indol-2-yl)methylidene]-2-oxo-3H-indol-1-ium-5-sulfonic acid Traditional Name: 2-keto-1-[(3-methyl-1H-indol-2-yl)methylene]indolin-1-ium-5-sulfonic acid Formula: C18H15N2O4S+ MolecularWeight: 355.3877

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=CC=CC=C12)C=[N+]3C(=O)CC4=C3C=CC(=C4)S(=O)(=O)O

Isomeric SMILES

CC1=C(NC2=CC=CC=C12)C=[N+]3C(=O)CC4=C3C=CC(=C4)S(=O)(=O)O

InChI

InChI=1S/C18H14N2O4S/c1-11-14-4-2-3-5-15(14)19-16(11)10-20-17-7-6-13(25(22,23)24)8-12(17)9-18(20)21/h2-8,10H,9H2,1H3,(H,22,23,24)/p+1