methyl sulfate; methyl-tris(2-phenoxycarbonyloxypropan-2-yl)azanium

Systemtic Name: methyl sulfate; methyl-tris(2-phenoxycarbonyloxypropan-2-yl)azanium Openeye Name: methyl sulfate; methyl-tris(1-methyl-1-phenoxycarbonyloxy-ethyl)ammonium CAS Name: methyl sulfate; methyl-tris[2-[oxo(phenoxy)methoxy]propan-2-yl]ammonium IUPAC Name: methyl sulfate; methyl-tris(2-phenoxycarbonyloxypropan-2-yl)azanium Traditional Name: methyl sulfate; tris(1-carbophenoxyoxy-1-methyl-ethyl)-methyl-ammonium Formula: C32H39NO13S MolecularWeight: 677.71596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)([N+](C)(C(C)(C)OC(=O)OC1=CC=CC=C1)C(C)(C)OC(=O)OC2=CC=CC=C2)OC(=O)OC3=CC=CC=C3.COS(=O)(=O)[O-]

Isomeric SMILES

CC(C)([N+](C)(C(C)(C)OC(=O)OC1=CC=CC=C1)C(C)(C)OC(=O)OC2=CC=CC=C2)OC(=O)OC3=CC=CC=C3.COS(=O)(=O)[O-]

InChI

InChI=1S/C31H36NO9.CH4O4S/c1-29(2,39-26(33)36-23-17-11-8-12-18-23)32(7,30(3,4)40-27(34)37-24-19-13-9-14-20-24)31(5,6)41-28(35)38-25-21-15-10-16-22-25;1-5-6(2,3)4/h8-22H,1-7H3;1H3,(H,2,3,4)/q+1;/p-1