2-[(3S)-2-methyl-3-phenylmethoxy-pent-4-yn-2-yl]-6-oxidanyl-pyran-4-one

Systemtic Name: 2-[(3S)-2-methyl-3-phenylmethoxy-pent-4-yn-2-yl]-6-oxidanyl-pyran-4-one Openeye Name: 2-[(2S)-2-benzyloxy-1,1-dimethyl-but-3-ynyl]-6-hydroxy-pyran-4-one CAS Name: 2-hydroxy-6-[(3S)-2-methyl-3-phenylmethoxypent-4-yn-2-yl]-4-pyranone IUPAC Name: 2-hydroxy-6-[(3S)-2-methyl-3-phenylmethoxypent-4-yn-2-yl]pyran-4-one Traditional Name: 2-[(2S)-2-benzoxy-1,1-dimethyl-but-3-ynyl]-6-hydroxy-pyran-4-one Formula: C18H18O4 MolecularWeight: 298.33312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC(=O)C=C(O1)O)C(C#C)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C1=CC(=O)C=C(O1)O)[C@H](C#C)OCC2=CC=CC=C2

InChI

InChI=1S/C18H18O4/c1-4-15(21-12-13-8-6-5-7-9-13)18(2,3)16-10-14(19)11-17(20)22-16/h1,5-11,15,20H,12H2,2-3H3/t15-/m0/s1