methyl (1S,2R,6S)-6-methyl-2-oxidanyl-6-phenylselanyl-cycloheptane-1-carboxylate

Systemtic Name: methyl (1S,2R,6S)-6-methyl-2-oxidanyl-6-phenylselanyl-cycloheptane-1-carboxylate Openeye Name: methyl (1S,2R,6S)-2-hydroxy-6-methyl-6-phenylselanyl-cycloheptanecarboxylate CAS Name: (1S,2R,6S)-2-hydroxy-6-methyl-6-(phenylseleno)-1-cycloheptanecarboxylic acid methyl ester IUPAC Name: methyl (1S,2R,6S)-2-hydroxy-6-methyl-6-phenylselanylcycloheptane-1-carboxylate Traditional Name: (1S,2R,6S)-2-hydroxy-6-methyl-6-(phenylseleno)cycloheptanecarboxylic acid methyl ester Formula: C16H22O3Se MolecularWeight: 341.30408

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC(C(C1)C(=O)OC)O)[Se]C2=CC=CC=C2

Isomeric SMILES

C[C@@]1(CCC[C@H]([C@H](C1)C(=O)OC)O)[Se]C2=CC=CC=C2

InChI

InChI=1S/C16H22O3Se/c1-16(20-12-7-4-3-5-8-12)10-6-9-14(17)13(11-16)15(18)19-2/h3-5,7-8,13-14,17H,6,9-11H2,1-2H3/t13-,14+,16-/m0/s1