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sodium 2-(7-methyloctanoyloxy)benzenesulfonate

sodium 2-(7-methyloctanoyloxy)benzenesulfonate

Systemtic Name:sodium 2-(7-methyloctanoyloxy)benzenesulfonate
Openeye Name:sodium 2-(7-methyloctanoyloxy)benzenesulfonate
CAS Name:sodium 2-(7-methyl-1-oxooctoxy)benzenesulfonate
IUPAC Name:sodium 2-(7-methyloctanoyloxy)benzenesulfonate
Traditional Name:sodium 2-(7-methyloctanoyloxy)besylate
Formula: C15H21NaO5S
MolecularWeight: 336.37901
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCC(=O)OC1=CC=CC=C1S(=O)(=O)[O-].[Na+]


Isomeric SMILES

CC(C)CCCCCC(=O)OC1=CC=CC=C1S(=O)(=O)[O-].[Na+]


InChI

InChI=1S/C15H22O5S.Na/c1-12(2)8-4-3-5-11-15(16)20-13-9-6-7-10-14(13)21(17,18)19;/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,17,18,19);/q;+1/p-1


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