2-[4-(2-hex-2-ynylphenyl)but-3-ynyl]-5-oxidanyl-4-phenylmethoxy-furan-3-one

Systemtic Name: 2-[4-(2-hex-2-ynylphenyl)but-3-ynyl]-5-oxidanyl-4-phenylmethoxy-furan-3-one Openeye Name: 4-benzyloxy-2-[4-(2-hex-2-ynylphenyl)but-3-ynyl]-5-hydroxy-furan-3-one CAS Name: 2-[4-(2-hex-2-ynylphenyl)but-3-ynyl]-5-hydroxy-4-phenylmethoxy-3-furanone IUPAC Name: 2-[4-(2-hex-2-ynylphenyl)but-3-ynyl]-5-hydroxy-4-phenylmethoxyfuran-3-one Traditional Name: 4-benzoxy-2-[4-(2-hex-2-ynylphenyl)but-3-ynyl]-5-hydroxy-furan-3-one Formula: C27H26O4 MolecularWeight: 414.49294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC#CCC1=CC=CC=C1C#CCCC2C(=O)C(=C(O2)O)OCC3=CC=CC=C3

Isomeric SMILES

CCCC#CCC1=CC=CC=C1C#CCCC2C(=O)C(=C(O2)O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H26O4/c1-2-3-4-8-15-22-16-9-10-17-23(22)18-11-12-19-24-25(28)26(27(29)31-24)30-20-21-13-6-5-7-14-21/h5-7,9-10,13-14,16-17,24,29H,2-3,12,15,19-20H2,1H3