2-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-5-phenyl-cyclohexane-1,3-dione

Systemtic Name: 2-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-5-phenyl-cyclohexane-1,3-dione Openeye Name: 2-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-5-phenyl-cyclohexane-1,3-dione CAS Name: 2-[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]-5-phenylcyclohexane-1,3-dione IUPAC Name: 2-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-5-phenylcyclohexane-1,3-dione Traditional Name: 2-[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]-5-phenyl-cyclohexane-1,3-quinone Formula: C22H18O5 MolecularWeight: 362.37532

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)C(C1=O)C(=O)C=CC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

Isomeric SMILES

C1C(CC(=O)C(C1=O)C(=O)/C=C/C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

InChI

InChI=1S/C22H18O5/c23-17(8-6-14-7-9-20-21(10-14)27-13-26-20)22-18(24)11-16(12-19(22)25)15-4-2-1-3-5-15/h1-10,16,22H,11-13H2/b8-6+