[1-oxidanyl-3-[[4-(3,4,5-trimethylphenoxy)phenyl]methyl]cyclopentyl] methanesulfonate

Systemtic Name: [1-oxidanyl-3-[[4-(3,4,5-trimethylphenoxy)phenyl]methyl]cyclopentyl] methanesulfonate Openeye Name: [1-hydroxy-3-[[4-(3,4,5-trimethylphenoxy)phenyl]methyl]cyclopentyl] methanesulfonate CAS Name: methanesulfonic acid [1-hydroxy-3-[[4-(3,4,5-trimethylphenoxy)phenyl]methyl]cyclopentyl] ester IUPAC Name: [1-hydroxy-3-[[4-(3,4,5-trimethylphenoxy)phenyl]methyl]cyclopentyl] methanesulfonate Traditional Name: methanesulfonic acid [1-hydroxy-3-[4-(3,4,5-trimethylphenoxy)benzyl]cyclopentyl] ester Formula: C22H28O5S MolecularWeight: 404.51972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)C)OC2=CC=C(C=C2)CC3CCC(C3)(O)OS(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC(=C1C)C)OC2=CC=C(C=C2)CC3CCC(C3)(O)OS(=O)(=O)C

InChI

InChI=1S/C22H28O5S/c1-15-11-21(12-16(2)17(15)3)26-20-7-5-18(6-8-20)13-19-9-10-22(23,14-19)27-28(4,24)25/h5-8,11-12,19,23H,9-10,13-14H2,1-4H3