1-(3,3-diphenylpropoxymethyl)-3,5-dimethyl-benzene; ethanedioate; propan-2-ylazanium

Systemtic Name: 1-(3,3-diphenylpropoxymethyl)-3,5-dimethyl-benzene; ethanedioate; propan-2-ylazanium Openeye Name: 1-(3,3-diphenylpropoxymethyl)-3,5-dimethyl-benzene; isopropylammonium; oxalate CAS Name: 1-(3,3-diphenylpropoxymethyl)-3,5-dimethylbenzene; oxalate; propan-2-ylammonium IUPAC Name: 1-(3,3-diphenylpropoxymethyl)-3,5-dimethylbenzene; oxalate; propan-2-ylazanium Traditional Name: 1-(3,3-diphenylpropoxymethyl)-3,5-dimethyl-benzene; isopropylammonium; oxalate Formula: C32H46N2O5 MolecularWeight: 538.71804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)COCCC(C2=CC=CC=C2)C3=CC=CC=C3)C.CC(C)[NH3+].CC(C)[NH3+].C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CC1=CC(=CC(=C1)COCCC(C2=CC=CC=C2)C3=CC=CC=C3)C.CC(C)[NH3+].CC(C)[NH3+].C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C24H26O.2C3H9N.C2H2O4/c1-19-15-20(2)17-21(16-19)18-25-14-13-24(22-9-5-3-6-10-22)23-11-7-4-8-12-23;2*1-3(2)4;3-1(4)2(5)6/h3-12,15-17,24H,13-14,18H2,1-2H3;2*3H,4H2,1-2H3;(H,3,4)(H,5,6)