4-chloranyl-2-icosyl-benzenesulfonate

Systemtic Name: 4-chloranyl-2-icosyl-benzenesulfonate Openeye Name: 4-chloro-2-icosyl-benzenesulfonate CAS Name: 4-chloro-2-eicosylbenzenesulfonate IUPAC Name: 4-chloro-2-icosylbenzenesulfonate Traditional Name: 2-arachyl-4-chloro-besylate Formula: C26H44ClO3S- MolecularWeight: 472.14376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC1=C(C=CC(=C1)Cl)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCC1=C(C=CC(=C1)Cl)S(=O)(=O)[O-]

InChI

InChI=1S/C26H45ClO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-23-25(27)21-22-26(24)31(28,29)30/h21-23H,2-20H2,1H3,(H,28,29,30)/p-1