4-methylbenzenesulfonic acid; N-thioxanthen-9-ylidenehydroxylamine

Systemtic Name: 4-methylbenzenesulfonic acid; N-thioxanthen-9-ylidenehydroxylamine Openeye Name: 4-methylbenzenesulfonic acid; thioxanthen-9-one oxime CAS Name: 4-methylbenzenesulfonic acid; 9-thioxanthenone oxime IUPAC Name: 4-methylbenzenesulfonic acid; N-thioxanthen-9-ylidenehydroxylamine Traditional Name: thioxanthen-9-one oxime; tosylic acid Formula: C20H17NO4S2 MolecularWeight: 399.48328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C2C(=C1)C(=NO)C3=CC=CC=C3S2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C2C(=C1)C(=NO)C3=CC=CC=C3S2

InChI

InChI=1S/C13H9NOS.C7H8O3S/c15-14-13-9-5-1-3-7-11(9)16-12-8-4-2-6-10(12)13;1-6-2-4-7(5-3-6)11(8,9)10/h1-8,15H;2-5H,1H3,(H,8,9,10)