[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 1-(phenylsulfinyl)naphthalene-2-carboxylate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 1-(phenylsulfinyl)naphthalene-2-carboxylate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] 1-(benzenesulfinyl)naphthalene-2-carboxylate CAS Name: 1-(benzenesulfinyl)-2-naphthalenecarboxylic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 1-(benzenesulfinyl)naphthalene-2-carboxylate Traditional Name: 1-(benzenesulfinyl)naphthalene-2-carboxylic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C27H30O3S MolecularWeight: 434.5903

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2=C(C3=CC=CC=C3C=C2)S(=O)C4=CC=CC=C4)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C2=C(C3=CC=CC=C3C=C2)S(=O)C4=CC=CC=C4)C(C)C

InChI

InChI=1S/C27H30O3S/c1-18(2)22-15-13-19(3)17-25(22)30-27(28)24-16-14-20-9-7-8-12-23(20)26(24)31(29)21-10-5-4-6-11-21/h4-12,14,16,18-19,22,25H,13,15,17H2,1-3H3/t19-,22+,25-,31?/m1/s1