2-(diphenylmethyl)oxycarbonylhexa-4,5-dienylazanium; 4-methylbenzenesulfonate

Systemtic Name: 2-(diphenylmethyl)oxycarbonylhexa-4,5-dienylazanium; 4-methylbenzenesulfonate Openeye Name: 2-benzhydryloxycarbonylhexa-4,5-dienylammonium; 4-methylbenzenesulfonate CAS Name: 2-[(diphenylmethyl)oxy-oxomethyl]hexa-4,5-dienylammonium; 4-methylbenzenesulfonate IUPAC Name: 2-benzhydryloxycarbonylhexa-4,5-dienylazanium; 4-methylbenzenesulfonate Traditional Name: 2-benzhydryloxycarbonylhexa-4,5-dienylammonium tosylate Formula: C27H29NO5S MolecularWeight: 479.58786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C=C=CCC(C[NH3+])C(=O)OC(C1=CC=CC=C1)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C=C=CCC(C[NH3+])C(=O)OC(C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C20H21NO2.C7H8O3S/c1-2-3-10-18(15-21)20(22)23-19(16-11-6-4-7-12-16)17-13-8-5-9-14-17;1-6-2-4-7(5-3-6)11(8,9)10/h3-9,11-14,18-19H,1,10,15,21H2;2-5H,1H3,(H,8,9,10)