6-(oxan-2-yloxy)-1-(3-phenylmethoxy-2-prop-2-enyl-phenyl)undec-2-yn-1-one

Systemtic Name: 6-(oxan-2-yloxy)-1-(3-phenylmethoxy-2-prop-2-enyl-phenyl)undec-2-yn-1-one Openeye Name: 1-(2-allyl-3-benzyloxy-phenyl)-6-tetrahydropyran-2-yloxy-undec-2-yn-1-one CAS Name: 6-(2-oxanyloxy)-1-(3-phenylmethoxy-2-prop-2-enylphenyl)-2-undecyn-1-one IUPAC Name: 6-(oxan-2-yloxy)-1-(3-phenylmethoxy-2-prop-2-enylphenyl)undec-2-yn-1-one Traditional Name: 1-(2-allyl-3-benzoxy-phenyl)-6-tetrahydropyran-2-yloxy-undec-2-yn-1-one Formula: C32H40O4 MolecularWeight: 488.6576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H40O4/c1-3-5-7-18-27(36-32-23-12-13-24-34-32)19-10-11-21-30(33)28-20-14-22-31(29(28)15-4-2)35-25-26-16-8-6-9-17-26/h4,6,8-9,14,16-17,20,22,27,32H,2-3,5,7,10,12-13,15,18-19,23-25H2,1H3