3-(1,3-benzodioxol-5-yl)-2-ethanoyl-4-ethoxycarbonyl-5-oxidanylidene-hexanoic acid

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-2-ethanoyl-4-ethoxycarbonyl-5-oxidanylidene-hexanoic acid Openeye Name: 2-acetyl-3-(1,3-benzodioxol-5-yl)-4-ethoxycarbonyl-5-oxo-hexanoic acid CAS Name: 2-acetyl-3-(1,3-benzodioxol-5-yl)-4-ethoxycarbonyl-5-oxohexanoic acid IUPAC Name: 2-acetyl-3-(1,3-benzodioxol-5-yl)-4-ethoxycarbonyl-5-oxohexanoic acid Traditional Name: 2-acetyl-3-(1,3-benzodioxol-5-yl)-4-carbethoxy-5-keto-hexanoic acid Formula: C18H20O8 MolecularWeight: 364.3466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CC2=C(C=C1)OCO2)C(C(=O)C)C(=O)O)C(=O)C

Isomeric SMILES

CCOC(=O)C(C(C1=CC2=C(C=C1)OCO2)C(C(=O)C)C(=O)O)C(=O)C

InChI

InChI=1S/C18H20O8/c1-4-24-18(23)15(10(3)20)16(14(9(2)19)17(21)22)11-5-6-12-13(7-11)26-8-25-12/h5-7,14-16H,4,8H2,1-3H3,(H,21,22)