O3-methyl O1-(3-methylsulfonyloxycyclohexyl) 5-(2-methylpropyl)-4-oxidanyl-benzene-1,3-dicarboxylate

Systemtic Name: O3-methyl O1-(3-methylsulfonyloxycyclohexyl) 5-(2-methylpropyl)-4-oxidanyl-benzene-1,3-dicarboxylate Openeye Name: O3-methyl O1-(3-methylsulfonyloxycyclohexyl) 4-hydroxy-5-isobutyl-benzene-1,3-dicarboxylate CAS Name: 4-hydroxy-5-(2-methylpropyl)benzene-1,3-dicarboxylic acid O3-methyl ester O1-(3-methylsulfonyloxycyclohexyl) ester IUPAC Name: 3-O-methyl 1-O-(3-methylsulfonyloxycyclohexyl) 4-hydroxy-5-(2-methylpropyl)benzene-1,3-dicarboxylate Traditional Name: 4-hydroxy-5-isobutyl-benzene-1,3-dicarboxylic acid O3-methyl ester O1-(3-methylsulfonyloxycyclohexyl) ester Formula: C20H28O8S MolecularWeight: 428.49652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC(=CC(=C1O)C(=O)OC)C(=O)OC2CCCC(C2)OS(=O)(=O)C

Isomeric SMILES

CC(C)CC1=CC(=CC(=C1O)C(=O)OC)C(=O)OC2CCCC(C2)OS(=O)(=O)C

InChI

InChI=1S/C20H28O8S/c1-12(2)8-13-9-14(10-17(18(13)21)20(23)26-3)19(22)27-15-6-5-7-16(11-15)28-29(4,24)25/h9-10,12,15-16,21H,5-8,11H2,1-4H3