[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 5-(1,3-dithian-2-yl)-1,3-benzodioxole-4-carboxylate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 5-(1,3-dithian-2-yl)-1,3-benzodioxole-4-carboxylate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] 5-(1,3-dithian-2-yl)-1,3-benzodioxole-4-carboxylate CAS Name: 5-(1,3-dithian-2-yl)-1,3-benzodioxole-4-carboxylic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 5-(1,3-dithian-2-yl)-1,3-benzodioxole-4-carboxylate Traditional Name: 5-(1,3-dithian-2-yl)-1,3-benzodioxole-4-carboxylic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C22H30O4S2 MolecularWeight: 422.6012

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2=C(C=CC3=C2OCO3)C4SCCCS4)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C2=C(C=CC3=C2OCO3)C4SCCCS4)C(C)C

InChI

InChI=1S/C22H30O4S2/c1-13(2)15-6-5-14(3)11-18(15)26-21(23)19-16(22-27-9-4-10-28-22)7-8-17-20(19)25-12-24-17/h7-8,13-15,18,22H,4-6,9-12H2,1-3H3/t14-,15+,18-/m1/s1