2-[13-(1,3-benzodioxol-5-yl)tridecanoyl]-3,4-bis(oxidanyl)cyclohex-2-en-1-one

Systemtic Name: 2-[13-(1,3-benzodioxol-5-yl)tridecanoyl]-3,4-bis(oxidanyl)cyclohex-2-en-1-one Openeye Name: 2-[13-(1,3-benzodioxol-5-yl)tridecanoyl]-3,4-dihydroxy-cyclohex-2-en-1-one CAS Name: 2-[13-(1,3-benzodioxol-5-yl)-1-oxotridecyl]-3,4-dihydroxy-1-cyclohex-2-enone IUPAC Name: 2-[13-(1,3-benzodioxol-5-yl)tridecanoyl]-3,4-dihydroxycyclohex-2-en-1-one Traditional Name: 2-[13-(1,3-benzodioxol-5-yl)tridecanoyl]-3,4-dihydroxy-cyclohex-2-en-1-one Formula: C26H36O6 MolecularWeight: 444.56044

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(=C(C1O)O)C(=O)CCCCCCCCCCCCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CC(=O)C(=C(C1O)O)C(=O)CCCCCCCCCCCCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C26H36O6/c27-20(25-21(28)14-15-22(29)26(25)30)12-10-8-6-4-2-1-3-5-7-9-11-19-13-16-23-24(17-19)32-18-31-23/h13,16-17,22,29-30H,1-12,14-15,18H2