N,N-dimethyl-1-phenyl-methanamine; methanesulfonate; [4-methanoyl-2-(4-methylphenyl)carbonyloxy-phenyl] 4-methylbenzoate

Systemtic Name: N,N-dimethyl-1-phenyl-methanamine; methanesulfonate; [4-methanoyl-2-(4-methylphenyl)carbonyloxy-phenyl] 4-methylbenzoate Openeye Name: N,N-dimethyl-1-phenyl-methanamine; [4-formyl-2-(4-methylbenzoyl)oxy-phenyl] 4-methylbenzoate; methanesulfonate CAS Name: N,N-dimethyl-1-phenylmethanamine; methanesulfonate; 4-methylbenzoic acid [4-formyl-2-[(4-methylphenyl)-oxomethoxy]phenyl] ester IUPAC Name: N,N-dimethyl-1-phenylmethanamine; [4-formyl-2-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate; methanesulfonate Traditional Name: benzyl(dimethyl)amine; 4-methylbenzoic acid (4-formyl-2-p-toluoyloxy-phenyl) ester; mesylate Formula: C33H34NO8S- MolecularWeight: 604.68996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=O)OC(=O)C3=CC=C(C=C3)C.CN(C)CC1=CC=CC=C1.CS(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=O)OC(=O)C3=CC=C(C=C3)C.CN(C)CC1=CC=CC=C1.CS(=O)(=O)[O-]

InChI

InChI=1S/C23H18O5.C9H13N.CH4O3S/c1-15-3-8-18(9-4-15)22(25)27-20-12-7-17(14-24)13-21(20)28-23(26)19-10-5-16(2)6-11-19;1-10(2)8-9-6-4-3-5-7-9;1-5(2,3)4/h3-14H,1-2H3;3-7H,8H2,1-2H3;1H3,(H,2,3,4)/p-1