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sodium 2,3,4-trioctylbenzenesulfonate

sodium 2,3,4-trioctylbenzenesulfonate

Systemtic Name:sodium 2,3,4-trioctylbenzenesulfonate
Openeye Name:sodium 2,3,4-trioctylbenzenesulfonate
CAS Name:sodium 2,3,4-trioctylbenzenesulfonate
IUPAC Name:sodium 2,3,4-trioctylbenzenesulfonate
Traditional Name:sodium 2,3,4-trioctylbesylate
Formula: C30H53NaO3S
MolecularWeight: 516.79479
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=C(C=C1)S(=O)(=O)[O-])CCCCCCCC)CCCCCCCC.[Na+]


Isomeric SMILES

CCCCCCCCC1=C(C(=C(C=C1)S(=O)(=O)[O-])CCCCCCCC)CCCCCCCC.[Na+]


InChI

InChI=1S/C30H54O3S.Na/c1-4-7-10-13-16-19-22-27-25-26-30(34(31,32)33)29(24-21-18-15-12-9-6-3)28(27)23-20-17-14-11-8-5-2;/h25-26H,4-24H2,1-3H3,(H,31,32,33);/q;+1/p-1


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