4-methylbenzenesulfonic acid; 1-phenyl-6,7-dihydro-5H-indol-4-one

Systemtic Name: 4-methylbenzenesulfonic acid; 1-phenyl-6,7-dihydro-5H-indol-4-one Openeye Name: 4-methylbenzenesulfonic acid; 1-phenyl-6,7-dihydro-5H-indol-4-one CAS Name: 4-methylbenzenesulfonic acid; 1-phenyl-6,7-dihydro-5H-indol-4-one IUPAC Name: 4-methylbenzenesulfonic acid; 1-phenyl-6,7-dihydro-5H-indol-4-one Traditional Name: 1-phenyl-6,7-dihydro-5H-indol-4-one; tosylic acid Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1CC2=C(C=CN2C3=CC=CC=C3)C(=O)C1

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CC2=C(C=CN2C3=CC=CC=C3)C(=O)C1

InChI

InChI=1S/C14H13NO.C7H8O3S/c16-14-8-4-7-13-12(14)9-10-15(13)11-5-2-1-3-6-11;1-6-2-4-7(5-3-6)11(8,9)10/h1-3,5-6,9-10H,4,7-8H2;2-5H,1H3,(H,8,9,10)