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2,2-diphosphonoethyl-hexadecyl-methyl-sulfanium

2,2-diphosphonoethyl-hexadecyl-methyl-sulfanium

Systemtic Name:2,2-diphosphonoethyl-hexadecyl-methyl-sulfanium
Openeye Name:2,2-diphosphonoethyl-hexadecyl-methyl-sulfonium
CAS Name:2,2-diphosphonoethyl-hexadecyl-methylsulfonium
IUPAC Name:2,2-diphosphonoethyl-hexadecyl-methylsulfanium
Traditional Name:cetyl-(2,2-diphosphonoethyl)-methyl-sulfonium
Formula: C19H43O6P2S+
MolecularWeight: 461.553642
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[S+](C)CC(P(=O)(O)O)P(=O)(O)O


Isomeric SMILES

CCCCCCCCCCCCCCCC[S+](C)CC(P(=O)(O)O)P(=O)(O)O


InChI

InChI=1S/C19H42O6P2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(2)18-19(26(20,21)22)27(23,24)25/h19H,3-18H2,1-2H3,(H3-,20,21,22,23,24,25)/p+1


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