methyl sulfate; methyl-tris(2-phenoxycarbonyloxyethyl)azanium

Systemtic Name: methyl sulfate; methyl-tris(2-phenoxycarbonyloxyethyl)azanium Openeye Name: methyl sulfate; methyl-tris(2-phenoxycarbonyloxyethyl)ammonium CAS Name: methyl sulfate; methyl-tris[2-[oxo(phenoxy)methoxy]ethyl]ammonium IUPAC Name: methyl sulfate; methyl-tris(2-phenoxycarbonyloxyethyl)azanium Traditional Name: methyl sulfate; tris(2-carbophenoxyoxyethyl)-methyl-ammonium Formula: C29H33NO13S MolecularWeight: 635.63622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30NO9.CH4O4S/c1-29(17-20-33-26(30)36-23-11-5-2-6-12-23,18-21-34-27(31)37-24-13-7-3-8-14-24)19-22-35-28(32)38-25-15-9-4-10-16-25;1-5-6(2,3)4/h2-16H,17-22H2,1H3;1H3,(H,2,3,4)/q+1;/p-1