2,2-dimethyl-5-[(E)-1-phenylhex-1-en-5-yn-3-yl]-5-[(E)-3-phenylprop-2-enyl]-1,3-dioxane-4,6-dione

Systemtic Name: 2,2-dimethyl-5-[(E)-1-phenylhex-1-en-5-yn-3-yl]-5-[(E)-3-phenylprop-2-enyl]-1,3-dioxane-4,6-dione Openeye Name: 5-[(E)-cinnamyl]-2,2-dimethyl-5-[1-[(E)-styryl]but-3-ynyl]-1,3-dioxane-4,6-dione CAS Name: 2,2-dimethyl-5-[(E)-1-phenylhex-1-en-5-yn-3-yl]-5-[(E)-3-phenylprop-2-enyl]-1,3-dioxane-4,6-dione IUPAC Name: 2,2-dimethyl-5-[(E)-1-phenylhex-1-en-5-yn-3-yl]-5-[(E)-3-phenylprop-2-enyl]-1,3-dioxane-4,6-dione Traditional Name: 5-[(E)-cinnamyl]-2,2-dimethyl-5-[1-[(E)-styryl]but-3-ynyl]-1,3-dioxane-4,6-quinone Formula: C27H26O4 MolecularWeight: 414.49294

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=O)C(C(=O)O1)(CC=CC2=CC=CC=C2)C(CC#C)C=CC3=CC=CC=C3)C

Isomeric SMILES

CC1(OC(=O)C(C(=O)O1)(C/C=C/C2=CC=CC=C2)C(CC#C)/C=C/C3=CC=CC=C3)C

InChI

InChI=1S/C27H26O4/c1-4-12-23(19-18-22-15-9-6-10-16-22)27(20-11-17-21-13-7-5-8-14-21)24(28)30-26(2,3)31-25(27)29/h1,5-11,13-19,23H,12,20H2,2-3H3/b17-11+,19-18+