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(3S,6R)-2,6-dimethyl-3,6-bis(oxidanyl)cycloheptene-1-carbonitrile

(3S,6R)-2,6-dimethyl-3,6-bis(oxidanyl)cycloheptene-1-carbonitrile

Systemtic Name:(3S,6R)-2,6-dimethyl-3,6-bis(oxidanyl)cycloheptene-1-carbonitrile
Openeye Name:(3S,6R)-3,6-dihydroxy-2,6-dimethyl-cycloheptene-1-carbonitrile
CAS Name:(3S,6R)-3,6-dihydroxy-2,6-dimethyl-1-cycloheptenecarbonitrile
IUPAC Name:(3S,6R)-3,6-dihydroxy-2,6-dimethylcycloheptene-1-carbonitrile
Traditional Name:(3S,6R)-3,6-dihydroxy-2,6-dimethyl-cycloheptene-1-carbonitrile
Formula: C10H15NO2
MolecularWeight: 181.2316
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(CCC1O)(C)O)C#N


Isomeric SMILES

CC1=C(C[C@](CC[C@@H]1O)(C)O)C#N


InChI

InChI=1S/C10H15NO2/c1-7-8(6-11)5-10(2,13)4-3-9(7)12/h9,12-13H,3-5H2,1-2H3/t9-,10+/m0/s1


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