[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 2-methoxynaphthalene-1-sulfinate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 2-methoxynaphthalene-1-sulfinate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] 2-methoxynaphthalene-1-sulfinate CAS Name: 2-methoxy-1-naphthalenesulfinic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-methoxynaphthalene-1-sulfinate Traditional Name: 2-methoxynaphthalene-1-sulfinic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C21H28O3S MolecularWeight: 360.51022

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OS(=O)C2=C(C=CC3=CC=CC=C32)OC)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)O[S@](=O)C2=C(C=CC3=CC=CC=C32)OC)C(C)C

InChI

InChI=1S/C21H28O3S/c1-14(2)17-11-9-15(3)13-20(17)24-25(22)21-18-8-6-5-7-16(18)10-12-19(21)23-4/h5-8,10,12,14-15,17,20H,9,11,13H2,1-4H3/t15-,17+,20-,25+/m1/s1