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sodium 4-(2-chloranyl-2-ethyl-hexanoyl)oxybenzenesulfonate

sodium 4-(2-chloranyl-2-ethyl-hexanoyl)oxybenzenesulfonate

Systemtic Name:sodium 4-(2-chloranyl-2-ethyl-hexanoyl)oxybenzenesulfonate
Openeye Name:sodium 4-(2-chloro-2-ethyl-hexanoyl)oxybenzenesulfonate
CAS Name:sodium 4-(2-chloro-2-ethyl-1-oxohexoxy)benzenesulfonate
IUPAC Name:sodium 4-(2-chloro-2-ethylhexanoyl)oxybenzenesulfonate
Traditional Name:sodium 4-(2-chloro-2-ethyl-hexanoyl)oxybesylate
Formula: C14H18ClNaO5S
MolecularWeight: 356.79749
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)(C(=O)OC1=CC=C(C=C1)S(=O)(=O)[O-])Cl.[Na+]


Isomeric SMILES

CCCCC(CC)(C(=O)OC1=CC=C(C=C1)S(=O)(=O)[O-])Cl.[Na+]


InChI

InChI=1S/C14H19ClO5S.Na/c1-3-5-10-14(15,4-2)13(16)20-11-6-8-12(9-7-11)21(17,18)19;/h6-9H,3-5,10H2,1-2H3,(H,17,18,19);/q;+1/p-1


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