2-[15-(1,3-benzodioxol-5-yl)pentadecanoyl]-3,4-bis(oxidanyl)cyclohex-2-en-1-one

Systemtic Name: 2-[15-(1,3-benzodioxol-5-yl)pentadecanoyl]-3,4-bis(oxidanyl)cyclohex-2-en-1-one Openeye Name: 2-[15-(1,3-benzodioxol-5-yl)pentadecanoyl]-3,4-dihydroxy-cyclohex-2-en-1-one CAS Name: 2-[15-(1,3-benzodioxol-5-yl)-1-oxopentadecyl]-3,4-dihydroxy-1-cyclohex-2-enone IUPAC Name: 2-[15-(1,3-benzodioxol-5-yl)pentadecanoyl]-3,4-dihydroxycyclohex-2-en-1-one Traditional Name: 2-[15-(1,3-benzodioxol-5-yl)pentadecanoyl]-3,4-dihydroxy-cyclohex-2-en-1-one Formula: C28H40O6 MolecularWeight: 472.6136

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(=C(C1O)O)C(=O)CCCCCCCCCCCCCCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CC(=O)C(=C(C1O)O)C(=O)CCCCCCCCCCCCCCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C28H40O6/c29-22(27-23(30)16-17-24(31)28(27)32)14-12-10-8-6-4-2-1-3-5-7-9-11-13-21-15-18-25-26(19-21)34-20-33-25/h15,18-19,24,31-32H,1-14,16-17,20H2