(E)-3-[1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)-4-oxidanylidene-cyclohexyl]prop-2-enoic acid

Systemtic Name: (E)-3-[1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)-4-oxidanylidene-cyclohexyl]prop-2-enoic acid Openeye Name: (E)-3-[1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)-4-oxo-cyclohexyl]prop-2-enoic acid CAS Name: (E)-3-[1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)-4-oxocyclohexyl]-2-propenoic acid IUPAC Name: (E)-3-[1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)-4-oxocyclohexyl]prop-2-enoic acid Traditional Name: (E)-3-[4-keto-1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)cyclohexyl]acrylic acid Formula: C18H20O6 MolecularWeight: 332.3478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)C3(CCC(=O)CC3)C=CC(=O)O)OCCO2

Isomeric SMILES

COC1=C2C(=C(C=C1)C3(CCC(=O)CC3)/C=C/C(=O)O)OCCO2

InChI

InChI=1S/C18H20O6/c1-22-14-3-2-13(16-17(14)24-11-10-23-16)18(9-6-15(20)21)7-4-12(19)5-8-18/h2-3,6,9H,4-5,7-8,10-11H2,1H3,(H,20,21)/b9-6+