(9S,9aR)-5,5,9-trimethyl-2,6,7,8,9,9a-hexahydro-1H-benzo[7]annulen-3-one

Systemtic Name: (9S,9aR)-5,5,9-trimethyl-2,6,7,8,9,9a-hexahydro-1H-benzo[7]annulen-3-one Openeye Name: (9S,9aR)-5,5,9-trimethyl-2,6,7,8,9,9a-hexahydro-1H-benzo[7]annulen-3-one CAS Name: (9S,9aR)-5,5,9-trimethyl-2,6,7,8,9,9a-hexahydro-1H-benzo[7]annulen-3-one IUPAC Name: (9S,9aR)-5,5,9-trimethyl-2,6,7,8,9,9a-hexahydro-1H-benzo[7]annulen-3-one Traditional Name: (9S,9aR)-5,5,9-trimethyl-2,6,7,8,9,9a-hexahydro-1H-benzocyclohepten-3-one Formula: C14H22O MolecularWeight: 206.32388

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C2=CC(=O)CCC12)(C)C

Isomeric SMILES

C[C@H]1CCCC(C2=CC(=O)CC[C@H]12)(C)C

InChI

InChI=1S/C14H22O/c1-10-5-4-8-14(2,3)13-9-11(15)6-7-12(10)13/h9-10,12H,4-8H2,1-3H3/t10-,12+/m0/s1