6-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]-1,3-benzodioxole-5-carboxylic acid

Systemtic Name: 6-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]-1,3-benzodioxole-5-carboxylic acid Openeye Name: 6-[(E)-3-methoxy-3-oxo-prop-1-enyl]-1,3-benzodioxole-5-carboxylic acid CAS Name: 6-[(E)-3-methoxy-3-oxoprop-1-enyl]-1,3-benzodioxole-5-carboxylic acid IUPAC Name: 6-[(E)-3-methoxy-3-oxoprop-1-enyl]-1,3-benzodioxole-5-carboxylic acid Traditional Name: 6-[(E)-3-keto-3-methoxy-prop-1-enyl]-piperonylic acid Formula: C12H10O6 MolecularWeight: 250.2042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC1=CC2=C(C=C1C(=O)O)OCO2

Isomeric SMILES

COC(=O)/C=C/C1=CC2=C(C=C1C(=O)O)OCO2

InChI

InChI=1S/C12H10O6/c1-16-11(13)3-2-7-4-9-10(18-6-17-9)5-8(7)12(14)15/h2-5H,6H2,1H3,(H,14,15)/b3-2+