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2-(2-heptylundecoxycarbonyl)benzenesulfonate

2-(2-heptylundecoxycarbonyl)benzenesulfonate

Systemtic Name:2-(2-heptylundecoxycarbonyl)benzenesulfonate
Openeye Name:2-(2-heptylundecoxycarbonyl)benzenesulfonate
CAS Name:2-[2-heptylundecoxy(oxo)methyl]benzenesulfonate
IUPAC Name:2-(2-heptylundecoxycarbonyl)benzenesulfonate
Traditional Name:2-(2-heptylundecoxycarbonyl)besylate
Formula: C25H41O5S-
MolecularWeight: 453.65504
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C25H42O5S/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)/p-1


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