(4aS,5S)-5-ethynyl-4a-methyl-5-oxidanyl-4,6,7,8-tetrahydro-3H-naphthalen-2-one

Systemtic Name: (4aS,5S)-5-ethynyl-4a-methyl-5-oxidanyl-4,6,7,8-tetrahydro-3H-naphthalen-2-one Openeye Name: (4aS,5S)-5-ethynyl-5-hydroxy-4a-methyl-4,6,7,8-tetrahydro-3H-naphthalen-2-one CAS Name: (4aS,5S)-5-ethynyl-5-hydroxy-4a-methyl-4,6,7,8-tetrahydro-3H-naphthalen-2-one IUPAC Name: (4aS,5S)-5-ethynyl-5-hydroxy-4a-methyl-4,6,7,8-tetrahydro-3H-naphthalen-2-one Traditional Name: (4aS,5S)-5-ethynyl-5-hydroxy-4a-methyl-4,6,7,8-tetrahydro-3H-naphthalen-2-one Formula: C13H16O2 MolecularWeight: 204.26494

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(=O)C=C1CCCC2(C#C)O

Isomeric SMILES

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

InChI

InChI=1S/C13H16O2/c1-3-13(15)7-4-5-10-9-11(14)6-8-12(10,13)2/h1,9,15H,4-8H2,2H3/t12-,13+/m0/s1