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

Systemtic Name: 2-[(Z)-4-(2-hex-2-ynylphenyl)but-3-enyl]-5-oxidanyl-4-phenylmethoxy-furan-3-one Openeye Name: 4-benzyloxy-2-[(Z)-4-(2-hex-2-ynylphenyl)but-3-enyl]-5-hydroxy-furan-3-one CAS Name: 2-[(Z)-4-(2-hex-2-ynylphenyl)but-3-enyl]-5-hydroxy-4-phenylmethoxy-3-furanone IUPAC Name: 2-[(Z)-4-(2-hex-2-ynylphenyl)but-3-enyl]-5-hydroxy-4-phenylmethoxyfuran-3-one Traditional Name: 4-benzoxy-2-[(Z)-4-(2-hex-2-ynylphenyl)but-3-enyl]-5-hydroxy-furan-3-one Formula: C27H28O4 MolecularWeight: 416.50882

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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=C1/C=C\CCC2C(=O)C(=C(O2)O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H28O4/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/h5-7,9-11,13-14,16-18,24,29H,2-3,12,15,19-20H2,1H3/b18-11-