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4-chloranyl-2-docosyl-benzenesulfonate

4-chloranyl-2-docosyl-benzenesulfonate

Systemtic Name:4-chloranyl-2-docosyl-benzenesulfonate
Openeye Name:4-chloro-2-docosyl-benzenesulfonate
CAS Name:4-chloro-2-docosylbenzenesulfonate
IUPAC Name:4-chloro-2-docosylbenzenesulfonate
Traditional Name:2-behenyl-4-chloro-besylate
Formula: C28H48ClO3S-
MolecularWeight: 500.19692
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCC1=C(C=CC(=C1)Cl)S(=O)(=O)[O-]


Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCC1=C(C=CC(=C1)Cl)S(=O)(=O)[O-]


InChI

InChI=1S/C28H49ClO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-25-27(29)23-24-28(26)33(30,31)32/h23-25H,2-22H2,1H3,(H,30,31,32)/p-1


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