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sodium 2-decyl-3-phenoxy-benzenesulfonate

sodium 2-decyl-3-phenoxy-benzenesulfonate

Systemtic Name:sodium 2-decyl-3-phenoxy-benzenesulfonate
Openeye Name:sodium 2-decyl-3-phenoxy-benzenesulfonate
CAS Name:sodium 2-decyl-3-phenoxybenzenesulfonate
IUPAC Name:sodium 2-decyl-3-phenoxybenzenesulfonate
Traditional Name:sodium 2-decyl-3-phenoxy-besylate
Formula: C22H29NaO4S
MolecularWeight: 412.51803
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=C(C=CC=C1S(=O)(=O)[O-])OC2=CC=CC=C2.[Na+]


Isomeric SMILES

CCCCCCCCCCC1=C(C=CC=C1S(=O)(=O)[O-])OC2=CC=CC=C2.[Na+]


InChI

InChI=1S/C22H30O4S.Na/c1-2-3-4-5-6-7-8-12-16-20-21(26-19-14-10-9-11-15-19)17-13-18-22(20)27(23,24)25;/h9-11,13-15,17-18H,2-8,12,16H2,1H3,(H,23,24,25);/q;+1/p-1


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