cinnolin-2-ium; 4-methylbenzenesulfonate

Systemtic Name: cinnolin-2-ium; 4-methylbenzenesulfonate Openeye Name: cinnolin-2-ium; 4-methylbenzenesulfonate CAS Name: cinnolin-2-ium; 4-methylbenzenesulfonate IUPAC Name: cinnolin-2-ium; 4-methylbenzenesulfonate Traditional Name: cinnolin-2-ium tosylate Formula: C15H14N2O3S MolecularWeight: 302.34826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C2C(=C1)C=C[NH+]=N2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C2C(=C1)C=C[NH+]=N2

InChI

InChI=1S/C8H6N2.C7H8O3S/c1-2-4-8-7(3-1)5-6-9-10-8;1-6-2-4-7(5-3-6)11(8,9)10/h1-6H;2-5H,1H3,(H,8,9,10)