(diphenylmethyl)oxycarbonyl 4-methylbenzenesulfonate; hexa-4,5-dienylazanium

Systemtic Name: (diphenylmethyl)oxycarbonyl 4-methylbenzenesulfonate; hexa-4,5-dienylazanium Openeye Name: benzhydryloxycarbonyl 4-methylbenzenesulfonate; hexa-4,5-dienylammonium CAS Name: hexa-4,5-dienylammonium; 4-methylbenzenesulfonic acid [(diphenylmethyl)oxy-oxomethyl] ester IUPAC Name: benzhydryloxycarbonyl 4-methylbenzenesulfonate; hexa-4,5-dienylazanium Traditional Name: hexa-4,5-dienylammonium; 4-methylbenzenesulfonic acid benzhydryloxycarbonyl ester Formula: C27H30NO5S+ MolecularWeight: 480.5958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(=O)OC(C2=CC=CC=C2)C3=CC=CC=C3.C=C=CCCC[NH3+]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(=O)OC(C2=CC=CC=C2)C3=CC=CC=C3.C=C=CCCC[NH3+]

InChI

InChI=1S/C21H18O5S.C6H11N/c1-16-12-14-19(15-13-16)27(23,24)26-21(22)25-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-2-3-4-5-6-7/h2-15,20H,1H3;3H,1,4-7H2/p+1