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

Systemtic Name: 2,2-dimethyl-5-[(E)-1-phenylhex-1-en-5-yn-3-yl]-5-prop-2-enyl-1,3-dioxane-4,6-dione Openeye Name: 5-allyl-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-prop-2-enyl-1,3-dioxane-4,6-dione IUPAC Name: 2,2-dimethyl-5-[(E)-1-phenylhex-1-en-5-yn-3-yl]-5-prop-2-enyl-1,3-dioxane-4,6-dione Traditional Name: 5-allyl-2,2-dimethyl-5-[1-[(E)-styryl]but-3-ynyl]-1,3-dioxane-4,6-quinone Formula: C21H22O4 MolecularWeight: 338.39698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22O4/c1-5-10-17(14-13-16-11-8-7-9-12-16)21(15-6-2)18(22)24-20(3,4)25-19(21)23/h1,6-9,11-14,17H,2,10,15H2,3-4H3/b14-13+