(7S,7aR)-7-ethynyl-7a-methyl-7-oxidanyl-1,4,5,6-tetrahydroinden-2-one

Systemtic Name: (7S,7aR)-7-ethynyl-7a-methyl-7-oxidanyl-1,4,5,6-tetrahydroinden-2-one Openeye Name: (7S,7aR)-7-ethynyl-7-hydroxy-7a-methyl-1,4,5,6-tetrahydroinden-2-one CAS Name: (7S,7aR)-7-ethynyl-7-hydroxy-7a-methyl-1,4,5,6-tetrahydroinden-2-one IUPAC Name: (7S,7aR)-7-ethynyl-7-hydroxy-7a-methyl-1,4,5,6-tetrahydroinden-2-one Traditional Name: (7S,7aR)-7-ethynyl-7-hydroxy-7a-methyl-1,4,5,6-tetrahydroinden-2-one Formula: C12H14O2 MolecularWeight: 190.23836

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC(=O)C=C1CCCC2(C#C)O

Isomeric SMILES

C[C@@]12CC(=O)C=C1CCC[C@@]2(C#C)O

InChI

InChI=1S/C12H14O2/c1-3-12(14)6-4-5-9-7-10(13)8-11(9,12)2/h1,7,14H,4-6,8H2,2H3/t11-,12-/m1/s1