(2S,3R)-3-methyl-2-[(3-oxidanylcyclohepten-1-yl)methyl]cycloheptan-1-one

Systemtic Name: (2S,3R)-3-methyl-2-[(3-oxidanylcyclohepten-1-yl)methyl]cycloheptan-1-one Openeye Name: (2S,3R)-2-[(3-hydroxycyclohepten-1-yl)methyl]-3-methyl-cycloheptanone CAS Name: (2S,3R)-2-[(3-hydroxy-1-cycloheptenyl)methyl]-3-methyl-1-cycloheptanone IUPAC Name: (2S,3R)-2-[(3-hydroxycyclohepten-1-yl)methyl]-3-methylcycloheptan-1-one Traditional Name: (2S,3R)-2-[(3-hydroxycyclohepten-1-yl)methyl]-3-methyl-cycloheptanone Formula: C16H26O2 MolecularWeight: 250.37644

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC(=O)C1CC2=CC(CCCC2)O

Isomeric SMILES

C[C@@H]1CCCCC(=O)[C@H]1CC2=CC(CCCC2)O

InChI

InChI=1S/C16H26O2/c1-12-6-2-5-9-16(18)15(12)11-13-7-3-4-8-14(17)10-13/h10,12,14-15,17H,2-9,11H2,1H3/t12-,14?,15+/m1/s1