5-(oxan-2-yloxy)-1-(3-phenylmethoxy-2-prop-2-enyl-phenyl)dec-2-yn-1-one

Systemtic Name: 5-(oxan-2-yloxy)-1-(3-phenylmethoxy-2-prop-2-enyl-phenyl)dec-2-yn-1-one Openeye Name: 1-(2-allyl-3-benzyloxy-phenyl)-5-tetrahydropyran-2-yloxy-dec-2-yn-1-one CAS Name: 5-(2-oxanyloxy)-1-(3-phenylmethoxy-2-prop-2-enylphenyl)-2-decyn-1-one IUPAC Name: 5-(oxan-2-yloxy)-1-(3-phenylmethoxy-2-prop-2-enylphenyl)dec-2-yn-1-one Traditional Name: 1-(2-allyl-3-benzoxy-phenyl)-5-tetrahydropyran-2-yloxy-dec-2-yn-1-one Formula: C31H38O4 MolecularWeight: 474.63102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC#CC(=O)C1=C(C(=CC=C1)OCC2=CC=CC=C2)CC=C)OC3CCCCO3

Isomeric SMILES

CCCCCC(CC#CC(=O)C1=C(C(=CC=C1)OCC2=CC=CC=C2)CC=C)OC3CCCCO3

InChI

InChI=1S/C31H38O4/c1-3-5-7-17-26(35-31-22-10-11-23-33-31)18-12-20-29(32)27-19-13-21-30(28(27)14-4-2)34-24-25-15-8-6-9-16-25/h4,6,8-9,13,15-16,19,21,26,31H,2-3,5,7,10-11,14,17-18,22-24H2,1H3