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sodium 14-methyl-1-(2-methylphenyl)pentadecane-1-sulfonate

sodium 14-methyl-1-(2-methylphenyl)pentadecane-1-sulfonate

Systemtic Name:sodium 14-methyl-1-(2-methylphenyl)pentadecane-1-sulfonate
Openeye Name:sodium 14-methyl-1-(o-tolyl)pentadecane-1-sulfonate
CAS Name:sodium 14-methyl-1-(2-methylphenyl)-1-pentadecanesulfonate
IUPAC Name:sodium 14-methyl-1-(2-methylphenyl)pentadecane-1-sulfonate
Traditional Name:sodium 14-methyl-1-(o-tolyl)pentadecane-1-sulfonate
Formula: C23H39NaO3S
MolecularWeight: 418.60873
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CCCCCCCCCCCCC(C)C)S(=O)(=O)[O-].[Na+]


Isomeric SMILES

CC1=CC=CC=C1C(CCCCCCCCCCCCC(C)C)S(=O)(=O)[O-].[Na+]


InChI

InChI=1S/C23H40O3S.Na/c1-20(2)16-12-10-8-6-4-5-7-9-11-13-19-23(27(24,25)26)22-18-15-14-17-21(22)3;/h14-15,17-18,20,23H,4-13,16,19H2,1-3H3,(H,24,25,26);/q;+1/p-1


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