4-methylbenzenesulfonic acid; 2-[(E)-2-(4-nitrophenyl)ethenyl]quinoline

Systemtic Name: 4-methylbenzenesulfonic acid; 2-[(E)-2-(4-nitrophenyl)ethenyl]quinoline Openeye Name: 4-methylbenzenesulfonic acid; 2-[(E)-2-(4-nitrophenyl)vinyl]quinoline CAS Name: 4-methylbenzenesulfonic acid; 2-[(E)-2-(4-nitrophenyl)ethenyl]quinoline IUPAC Name: 4-methylbenzenesulfonic acid; 2-[(E)-2-(4-nitrophenyl)ethenyl]quinoline Traditional Name: 2-[(E)-2-(4-nitrophenyl)vinyl]quinoline; tosylic acid Formula: C24H20N2O5S MolecularWeight: 448.491

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C2C(=C1)C=CC(=N2)C=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C2C(=C1)C=CC(=N2)/C=C/C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H12N2O2.C7H8O3S/c20-19(21)16-11-6-13(7-12-16)5-9-15-10-8-14-3-1-2-4-17(14)18-15;1-6-2-4-7(5-3-6)11(8,9)10/h1-12H;2-5H,1H3,(H,8,9,10)/b9-5+;