1-[(3-bromanyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrazole; 4-methylbenzenesulfonic acid

Systemtic Name: 1-[(3-bromanyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrazole; 4-methylbenzenesulfonic acid Openeye Name: 1-[(7-bromo-1,1,4,4-tetramethyl-tetralin-6-yl)methyl]pyrazole; 4-methylbenzenesulfonic acid CAS Name: 1-[(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrazole; 4-methylbenzenesulfonic acid IUPAC Name: 1-[(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]pyrazole; 4-methylbenzenesulfonic acid Traditional Name: 1-[(7-bromo-1,1,4,4-tetramethyl-tetralin-6-yl)methyl]pyrazole; tosylic acid Formula: C25H31BrN2O3S MolecularWeight: 519.49424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC1(CCC(C2=CC(=C(C=C21)CN3C=CC=N3)Br)(C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC1(CCC(C2=CC(=C(C=C21)CN3C=CC=N3)Br)(C)C)C

InChI

InChI=1S/C18H23BrN2.C7H8O3S/c1-17(2)6-7-18(3,4)15-11-16(19)13(10-14(15)17)12-21-9-5-8-20-21;1-6-2-4-7(5-3-6)11(8,9)10/h5,8-11H,6-7,12H2,1-4H3;2-5H,1H3,(H,8,9,10)