[4-butoxy-4-(2-chlorophenyl)cyclohexyl] propane-1-sulfonate

Systemtic Name: [4-butoxy-4-(2-chlorophenyl)cyclohexyl] propane-1-sulfonate Openeye Name: [4-butoxy-4-(2-chlorophenyl)cyclohexyl] propane-1-sulfonate CAS Name: 1-propanesulfonic acid IUPAC Name: [4-butoxy-4-(2-chlorophenyl)cyclohexyl] propane-1-sulfonate Traditional Name: propane-1-sulfonic acid [4-butoxy-4-(2-chlorophenyl)cyclohexyl] ester Formula: C19H29ClO4S MolecularWeight: 388.94916

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1(CCC(CC1)OS(=O)(=O)CCC)C2=CC=CC=C2Cl

Isomeric SMILES

CCCCOC1(CCC(CC1)OS(=O)(=O)CCC)C2=CC=CC=C2Cl

InChI

InChI=1S/C19H29ClO4S/c1-3-5-14-23-19(17-8-6-7-9-18(17)20)12-10-16(11-13-19)24-25(21,22)15-4-2/h6-9,16H,3-5,10-15H2,1-2H3