(6-cyano-1,2,3,4-tetrahydronaphthalen-2-yl)methyl-triphenyl-phosphanium; 4-methylbenzenesulfonate

Systemtic Name: (6-cyano-1,2,3,4-tetrahydronaphthalen-2-yl)methyl-triphenyl-phosphanium; 4-methylbenzenesulfonate Openeye Name: (6-cyanotetralin-2-yl)methyl-triphenyl-phosphonium; 4-methylbenzenesulfonate CAS Name: (6-cyano-1,2,3,4-tetrahydronaphthalen-2-yl)methyl-triphenylphosphonium; 4-methylbenzenesulfonate IUPAC Name: (6-cyano-1,2,3,4-tetrahydronaphthalen-2-yl)methyl-triphenylphosphanium; 4-methylbenzenesulfonate Traditional Name: (6-cyanotetralin-2-yl)methyl-triphenyl-phosphonium tosylate Formula: C37H34NO3PS MolecularWeight: 603.709521

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CC2=C(CC1C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C=CC(=C2)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CC2=C(CC1C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C=CC(=C2)C#N

InChI

InChI=1S/C30H27NP.C7H8O3S/c31-22-24-16-18-27-21-25(17-19-26(27)20-24)23-32(28-10-4-1-5-11-28,29-12-6-2-7-13-29)30-14-8-3-9-15-30;1-6-2-4-7(5-3-6)11(8,9)10/h1-16,18,20,25H,17,19,21,23H2;2-5H,1H3,(H,8,9,10)/q+1;/p-1