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sodium 4-methyl-3-tetracosyl-benzenesulfonate

sodium 4-methyl-3-tetracosyl-benzenesulfonate

Systemtic Name:sodium 4-methyl-3-tetracosyl-benzenesulfonate
Openeye Name:sodium 4-methyl-3-tetracosyl-benzenesulfonate
CAS Name:sodium 4-methyl-3-tetracosylbenzenesulfonate
IUPAC Name:sodium 4-methyl-3-tetracosylbenzenesulfonate
Traditional Name:sodium 3-lignoceryl-4-methyl-besylate
Formula: C31H55NaO3S
MolecularWeight: 530.82137
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCC1=C(C=CC(=C1)S(=O)(=O)[O-])C.[Na+]


Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCC1=C(C=CC(=C1)S(=O)(=O)[O-])C.[Na+]


InChI

InChI=1S/C31H56O3S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-30-28-31(35(32,33)34)27-26-29(30)2;/h26-28H,3-25H2,1-2H3,(H,32,33,34);/q;+1/p-1


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