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sodium 5-ethanoyl-2-hexadecoxy-benzenesulfonate

sodium 5-ethanoyl-2-hexadecoxy-benzenesulfonate

Systemtic Name:sodium 5-ethanoyl-2-hexadecoxy-benzenesulfonate
Openeye Name:sodium 5-acetyl-2-hexadecoxy-benzenesulfonate
CAS Name:sodium 5-acetyl-2-hexadecoxybenzenesulfonate
IUPAC Name:sodium 5-acetyl-2-hexadecoxybenzenesulfonate
Traditional Name:sodium 5-acetyl-2-cetyloxy-besylate
Formula: C24H39NaO5S
MolecularWeight: 462.61823
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)C)S(=O)(=O)[O-].[Na+]


Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)C)S(=O)(=O)[O-].[Na+]


InChI

InChI=1S/C24H40O5S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-29-23-18-17-22(21(2)25)20-24(23)30(26,27)28;/h17-18,20H,3-16,19H2,1-2H3,(H,26,27,28);/q;+1/p-1


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