2-oxidanylpentyl 4,4-bis(chloranyl)-2-(3-methoxyphenyl)dodecane-1-sulfonate

Systemtic Name: 2-oxidanylpentyl 4,4-bis(chloranyl)-2-(3-methoxyphenyl)dodecane-1-sulfonate Openeye Name: 2-hydroxypentyl 4,4-dichloro-2-(3-methoxyphenyl)dodecane-1-sulfonate CAS Name: 4,4-dichloro-2-(3-methoxyphenyl)-1-dodecanesulfonic acid IUPAC Name: 2-hydroxypentyl 4,4-dichloro-2-(3-methoxyphenyl)dodecane-1-sulfonate Traditional Name: 4,4-dichloro-2-(3-methoxyphenyl)dodecane-1-sulfonic acid 2-hydroxypentyl ester Formula: C24H40Cl2O5S MolecularWeight: 511.5424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CC(CS(=O)(=O)OCC(CCC)O)C1=CC(=CC=C1)OC)(Cl)Cl

Isomeric SMILES

CCCCCCCCC(CC(CS(=O)(=O)OCC(CCC)O)C1=CC(=CC=C1)OC)(Cl)Cl

InChI

InChI=1S/C24H40Cl2O5S/c1-4-6-7-8-9-10-15-24(25,26)17-21(20-13-11-14-23(16-20)30-3)19-32(28,29)31-18-22(27)12-5-2/h11,13-14,16,21-22,27H,4-10,12,15,17-19H2,1-3H3