[4-(2-propoxyphenyl)cyclohexyl] 4-methylbenzenesulfonate

Systemtic Name: [4-(2-propoxyphenyl)cyclohexyl] 4-methylbenzenesulfonate Openeye Name: [4-(2-propoxyphenyl)cyclohexyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-(2-propoxyphenyl)cyclohexyl] ester IUPAC Name: [4-(2-propoxyphenyl)cyclohexyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(2-propoxyphenyl)cyclohexyl] ester Formula: C22H28O4S MolecularWeight: 388.52032

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C2CCC(CC2)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCOC1=CC=CC=C1C2CCC(CC2)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H28O4S/c1-3-16-25-22-7-5-4-6-21(22)18-10-12-19(13-11-18)26-27(23,24)20-14-8-17(2)9-15-20/h4-9,14-15,18-19H,3,10-13,16H2,1-2H3