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sodium 2-(2-heptylundecoxycarbonyl)benzenesulfonate

sodium 2-(2-heptylundecoxycarbonyl)benzenesulfonate

Systemtic Name:sodium 2-(2-heptylundecoxycarbonyl)benzenesulfonate
Openeye Name:sodium 2-(2-heptylundecoxycarbonyl)benzenesulfonate
CAS Name:sodium 2-[2-heptylundecoxy(oxo)methyl]benzenesulfonate
IUPAC Name:sodium 2-(2-heptylundecoxycarbonyl)benzenesulfonate
Traditional Name:sodium 2-(2-heptylundecoxycarbonyl)besylate
Formula: C25H41NaO5S
MolecularWeight: 476.64481
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCCC)COC(=O)C1=CC=CC=C1S(=O)(=O)[O-].[Na+]


Isomeric SMILES

CCCCCCCCCC(CCCCCCC)COC(=O)C1=CC=CC=C1S(=O)(=O)[O-].[Na+]


InChI

InChI=1S/C25H42O5S.Na/c1-3-5-7-9-10-12-14-18-22(17-13-11-8-6-4-2)21-30-25(26)23-19-15-16-20-24(23)31(27,28)29;/h15-16,19-20,22H,3-14,17-18,21H2,1-2H3,(H,27,28,29);/q;+1/p-1


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