2-[4-[2,4-bis(oxidanyl)phenyl]butanoyl]-5-phenyl-cyclohexane-1,3-dione

Systemtic Name: 2-[4-[2,4-bis(oxidanyl)phenyl]butanoyl]-5-phenyl-cyclohexane-1,3-dione Openeye Name: 2-[4-(2,4-dihydroxyphenyl)butanoyl]-5-phenyl-cyclohexane-1,3-dione CAS Name: 2-[4-(2,4-dihydroxyphenyl)-1-oxobutyl]-5-phenylcyclohexane-1,3-dione IUPAC Name: 2-[4-(2,4-dihydroxyphenyl)butanoyl]-5-phenylcyclohexane-1,3-dione Traditional Name: 2-[4-(2,4-dihydroxyphenyl)butanoyl]-5-phenyl-cyclohexane-1,3-quinone Formula: C22H22O5 MolecularWeight: 366.40708

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)C(C1=O)C(=O)CCCC2=C(C=C(C=C2)O)O)C3=CC=CC=C3

Isomeric SMILES

C1C(CC(=O)C(C1=O)C(=O)CCCC2=C(C=C(C=C2)O)O)C3=CC=CC=C3

InChI

InChI=1S/C22H22O5/c23-17-10-9-15(19(25)13-17)7-4-8-18(24)22-20(26)11-16(12-21(22)27)14-5-2-1-3-6-14/h1-3,5-6,9-10,13,16,22-23,25H,4,7-8,11-12H2