3,4-bis(oxidanyl)-2-(13-phenyltridecanoyl)cyclohex-2-en-1-one

Systemtic Name: 3,4-bis(oxidanyl)-2-(13-phenyltridecanoyl)cyclohex-2-en-1-one Openeye Name: 3,4-dihydroxy-2-(13-phenyltridecanoyl)cyclohex-2-en-1-one CAS Name: 3,4-dihydroxy-2-(1-oxo-13-phenyltridecyl)-1-cyclohex-2-enone IUPAC Name: 3,4-dihydroxy-2-(13-phenyltridecanoyl)cyclohex-2-en-1-one Traditional Name: 3,4-dihydroxy-2-(13-phenyltridecanoyl)cyclohex-2-en-1-one Formula: C25H36O4 MolecularWeight: 400.55094

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(=C(C1O)O)C(=O)CCCCCCCCCCCCC2=CC=CC=C2

Isomeric SMILES

C1CC(=O)C(=C(C1O)O)C(=O)CCCCCCCCCCCCC2=CC=CC=C2

InChI

InChI=1S/C25H36O4/c26-21(24-22(27)18-19-23(28)25(24)29)17-13-8-6-4-2-1-3-5-7-10-14-20-15-11-9-12-16-20/h9,11-12,15-16,23,28-29H,1-8,10,13-14,17-19H2