[4,4-bis(chloranyl)-2-[3,5-di(propan-2-yl)phenyl]-2-oxidanyl-pentyl] 4-chloranylbutane-1-sulfonate

Systemtic Name: [4,4-bis(chloranyl)-2-[3,5-di(propan-2-yl)phenyl]-2-oxidanyl-pentyl] 4-chloranylbutane-1-sulfonate Openeye Name: [4,4-dichloro-2-(3,5-diisopropylphenyl)-2-hydroxy-pentyl] 4-chlorobutane-1-sulfonate CAS Name: 4-chloro-1-butanesulfonic acid IUPAC Name: [4,4-dichloro-2-[3,5-di(propan-2-yl)phenyl]-2-hydroxypentyl] 4-chlorobutane-1-sulfonate Traditional Name: 4-chlorobutane-1-sulfonic acid [4,4-dichloro-2-(3,5-diisopropylphenyl)-2-hydroxy-pentyl] ester Formula: C21H33Cl3O4S MolecularWeight: 487.90832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC(=C1)C(CC(C)(Cl)Cl)(COS(=O)(=O)CCCCCl)O)C(C)C

Isomeric SMILES

CC(C)C1=CC(=CC(=C1)C(CC(C)(Cl)Cl)(COS(=O)(=O)CCCCCl)O)C(C)C

InChI

InChI=1S/C21H33Cl3O4S/c1-15(2)17-10-18(16(3)4)12-19(11-17)21(25,13-20(5,23)24)14-28-29(26,27)9-7-6-8-22/h10-12,15-16,25H,6-9,13-14H2,1-5H3