methyl sulfate; methyl-tris[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]azanium

Systemtic Name: methyl sulfate; methyl-tris[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]azanium Openeye Name: methyl sulfate; methyl-tris[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]ammonium CAS Name: methyl sulfate; methyl-tris[2-[(E)-1-oxo-3-phenylprop-2-enoxy]ethyl]ammonium IUPAC Name: methyl sulfate; methyl-tris[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]azanium Traditional Name: methyl sulfate; methyl-tris[2-[(E)-3-phenylacryloyl]oxyethyl]ammonium Formula: C35H39NO10S MolecularWeight: 665.74986

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](CCOC(=O)C=CC1=CC=CC=C1)(CCOC(=O)C=CC2=CC=CC=C2)CCOC(=O)C=CC3=CC=CC=C3.COS(=O)(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C34H36NO6.CH4O4S/c1-35(23-26-39-32(36)20-17-29-11-5-2-6-12-29,24-27-40-33(37)21-18-30-13-7-3-8-14-30)25-28-41-34(38)22-19-31-15-9-4-10-16-31;1-5-6(2,3)4/h2-22H,23-28H2,1H3;1H3,(H,2,3,4)/q+1;/p-1/b20-17+,21-18+,22-19+;