4-methylbenzenesulfonic acid; 1-oxidanidyl-2-pyridin-2-yl-indol-1-ium-3-one

Systemtic Name: 4-methylbenzenesulfonic acid; 1-oxidanidyl-2-pyridin-2-yl-indol-1-ium-3-one Openeye Name: 4-methylbenzenesulfonic acid; 1-oxido-2-(2-pyridyl)indol-1-ium-3-one CAS Name: 4-methylbenzenesulfonic acid; 1-oxido-2-(2-pyridinyl)-3-indol-1-iumone IUPAC Name: 4-methylbenzenesulfonic acid; 1-oxido-2-pyridin-2-ylindol-1-ium-3-one Traditional Name: 1-oxido-2-(2-pyridyl)indol-1-ium-3-one; tosylic acid Formula: C20H16N2O5S MolecularWeight: 396.41644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C2C(=C1)C(=O)C(=[N+]2[O-])C3=CC=CC=N3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C2C(=C1)C(=O)C(=[N+]2[O-])C3=CC=CC=N3

InChI

InChI=1S/C13H8N2O2.C7H8O3S/c16-13-9-5-1-2-7-11(9)15(17)12(13)10-6-3-4-8-14-10;1-6-2-4-7(5-3-6)11(8,9)10/h1-8H;2-5H,1H3,(H,8,9,10)