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2-butyl-3-(14-methylpentadecyl)benzenesulfonate

2-butyl-3-(14-methylpentadecyl)benzenesulfonate

Systemtic Name:2-butyl-3-(14-methylpentadecyl)benzenesulfonate
Openeye Name:2-butyl-3-(14-methylpentadecyl)benzenesulfonate
CAS Name:2-butyl-3-(14-methylpentadecyl)benzenesulfonate
IUPAC Name:2-butyl-3-(14-methylpentadecyl)benzenesulfonate
Traditional Name:2-butyl-3-(14-methylpentadecyl)besylate
Formula: C26H45O3S-
MolecularWeight: 437.6987
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC=C1S(=O)(=O)[O-])CCCCCCCCCCCCCC(C)C


Isomeric SMILES

CCCCC1=C(C=CC=C1S(=O)(=O)[O-])CCCCCCCCCCCCCC(C)C


InChI

InChI=1S/C26H46O3S/c1-4-5-21-25-24(20-17-22-26(25)30(27,28)29)19-16-14-12-10-8-6-7-9-11-13-15-18-23(2)3/h17,20,22-23H,4-16,18-19,21H2,1-3H3,(H,27,28,29)/p-1


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