3-[1-(1,3-benzodioxol-5-yl)-2,5-bis(oxidanylidene)cyclohexyl]propanoic acid

Systemtic Name: 3-[1-(1,3-benzodioxol-5-yl)-2,5-bis(oxidanylidene)cyclohexyl]propanoic acid Openeye Name: 3-[1-(1,3-benzodioxol-5-yl)-2,5-dioxo-cyclohexyl]propanoic acid CAS Name: 3-[1-(1,3-benzodioxol-5-yl)-2,5-dioxocyclohexyl]propanoic acid IUPAC Name: 3-[1-(1,3-benzodioxol-5-yl)-2,5-dioxocyclohexyl]propanoic acid Traditional Name: 3-[1-(1,3-benzodioxol-5-yl)-2,5-diketo-cyclohexyl]propionic acid Formula: C16H16O6 MolecularWeight: 304.29464

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(CC1=O)(CCC(=O)O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CC(=O)C(CC1=O)(CCC(=O)O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H16O6/c17-11-2-4-14(18)16(8-11,6-5-15(19)20)10-1-3-12-13(7-10)22-9-21-12/h1,3,7H,2,4-6,8-9H2,(H,19,20)