4,6-dimethyl-3,5,6-tris(oxidanyl)-2-(3-phenylpropanoyl)cyclohexa-2,4-dien-1-one

Systemtic Name: 4,6-dimethyl-3,5,6-tris(oxidanyl)-2-(3-phenylpropanoyl)cyclohexa-2,4-dien-1-one Openeye Name: 3,5,6-trihydroxy-4,6-dimethyl-2-(3-phenylpropanoyl)cyclohexa-2,4-dien-1-one CAS Name: 3,5,6-trihydroxy-4,6-dimethyl-2-(1-oxo-3-phenylpropyl)-1-cyclohexa-2,4-dienone IUPAC Name: 3,5,6-trihydroxy-4,6-dimethyl-2-(3-phenylpropanoyl)cyclohexa-2,4-dien-1-one Traditional Name: 2-hydrocinnamoyl-3,5,6-trihydroxy-4,6-dimethyl-cyclohexa-2,4-dien-1-one Formula: C17H18O5 MolecularWeight: 302.32182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=O)C(=C1O)C(=O)CCC2=CC=CC=C2)(C)O)O

Isomeric SMILES

CC1=C(C(C(=O)C(=C1O)C(=O)CCC2=CC=CC=C2)(C)O)O

InChI

InChI=1S/C17H18O5/c1-10-14(19)13(16(21)17(2,22)15(10)20)12(18)9-8-11-6-4-3-5-7-11/h3-7,19-20,22H,8-9H2,1-2H3