2,2-bis[(4-ethenylphenyl)methyl]heptadecylazanium; methyl sulfate

Systemtic Name: 2,2-bis[(4-ethenylphenyl)methyl]heptadecylazanium; methyl sulfate Openeye Name: 2,2-bis[(4-vinylphenyl)methyl]heptadecylammonium; methyl sulfate CAS Name: 2,2-bis[(4-ethenylphenyl)methyl]heptadecylammonium; methyl sulfate IUPAC Name: 2,2-bis[(4-ethenylphenyl)methyl]heptadecylazanium; methyl sulfate Traditional Name: 2,2-bis(4-vinylbenzyl)heptadecylammonium; methyl sulfate Formula: C36H57NO4S MolecularWeight: 599.90708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(CC1=CC=C(C=C1)C=C)(CC2=CC=C(C=C2)C=C)C[NH3+].COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC(CC1=CC=C(C=C1)C=C)(CC2=CC=C(C=C2)C=C)C[NH3+].COS(=O)(=O)[O-]

InChI

InChI=1S/C35H53N.CH4O4S/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-27-35(30-36,28-33-23-19-31(5-2)20-24-33)29-34-25-21-32(6-3)22-26-34;1-5-6(2,3)4/h5-6,19-26H,2-4,7-18,27-30,36H2,1H3;1H3,(H,2,3,4)