1-methoxy-2-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-2H-quinoline; 4-methylbenzenesulfonic acid

Systemtic Name: 1-methoxy-2-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-2H-quinoline; 4-methylbenzenesulfonic acid Openeye Name: 2-[(E)-2-(4-isopropylphenyl)vinyl]-1-methoxy-2H-quinoline; 4-methylbenzenesulfonic acid CAS Name: 1-methoxy-2-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-2H-quinoline; 4-methylbenzenesulfonic acid IUPAC Name: 1-methoxy-2-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-2H-quinoline; 4-methylbenzenesulfonic acid Traditional Name: 1-methoxy-2-[(E)-2-p-cumenylvinyl]-2H-quinoline; tosylic acid Formula: C28H31NO4S MolecularWeight: 477.61504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)C1=CC=C(C=C1)C=CC2C=CC3=CC=CC=C3N2OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)C1=CC=C(C=C1)/C=C/C2C=CC3=CC=CC=C3N2OC

InChI

InChI=1S/C21H23NO.C7H8O3S/c1-16(2)18-11-8-17(9-12-18)10-14-20-15-13-19-6-4-5-7-21(19)22(20)23-3;1-6-2-4-7(5-3-6)11(8,9)10/h4-16,20H,1-3H3;2-5H,1H3,(H,8,9,10)/b14-10+;