1-[(2S,4S)-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]-5-methyl-hex-4-en-2-yn-1-one

Systemtic Name: 1-[(2S,4S)-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]-5-methyl-hex-4-en-2-yn-1-one Openeye Name: 1-[(2S,4S)-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]-5-methyl-hex-4-en-2-yn-1-one CAS Name: 1-[(2S,4S)-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]-5-methyl-1-hex-4-en-2-ynone IUPAC Name: 1-[(2S,4S)-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]-5-methylhex-4-en-2-yn-1-one Traditional Name: 1-[(2S,4S)-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]-5-methyl-hex-4-en-2-yn-1-one Formula: C18H20O4 MolecularWeight: 300.349

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC#CC(=O)C1CCOC(O1)C2=CC=C(C=C2)OC)C

Isomeric SMILES

CC(=CC#CC(=O)[C@@H]1CCO[C@@H](O1)C2=CC=C(C=C2)OC)C

InChI

InChI=1S/C18H20O4/c1-13(2)5-4-6-16(19)17-11-12-21-18(22-17)14-7-9-15(20-3)10-8-14/h5,7-10,17-18H,11-12H2,1-3H3/t17-,18-/m0/s1