diethyl (3S,4S)-4-methyl-4-oxidanyl-3-(1-phenylethenyl)cyclohexane-1,1-dicarboxylate

Systemtic Name: diethyl (3S,4S)-4-methyl-4-oxidanyl-3-(1-phenylethenyl)cyclohexane-1,1-dicarboxylate Openeye Name: diethyl (3S,4S)-4-hydroxy-4-methyl-3-(1-phenylvinyl)cyclohexane-1,1-dicarboxylate CAS Name: (3S,4S)-4-hydroxy-4-methyl-3-(1-phenylethenyl)cyclohexane-1,1-dicarboxylic acid diethyl ester IUPAC Name: diethyl (3S,4S)-4-hydroxy-4-methyl-3-(1-phenylethenyl)cyclohexane-1,1-dicarboxylate Traditional Name: (3S,4S)-4-hydroxy-4-methyl-3-(1-phenylvinyl)cyclohexane-1,1-dicarboxylic acid diethyl ester Formula: C21H28O5 MolecularWeight: 360.44402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC(C(C1)C(=C)C2=CC=CC=C2)(C)O)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1(CC[C@]([C@@H](C1)C(=C)C2=CC=CC=C2)(C)O)C(=O)OCC

InChI

InChI=1S/C21H28O5/c1-5-25-18(22)21(19(23)26-6-2)13-12-20(4,24)17(14-21)15(3)16-10-8-7-9-11-16/h7-11,17,24H,3,5-6,12-14H2,1-2,4H3/t17-,20-/m0/s1