3,4,5-trimethoxy-2-[6-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]-1,3-benzodioxol-5-yl]benzoic acid

Systemtic Name: 3,4,5-trimethoxy-2-[6-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]-1,3-benzodioxol-5-yl]benzoic acid Openeye Name: 3,4,5-trimethoxy-2-[6-[(E)-3-methoxy-3-oxo-prop-1-enyl]-1,3-benzodioxol-5-yl]benzoic acid CAS Name: 3,4,5-trimethoxy-2-[6-[(E)-3-methoxy-3-oxoprop-1-enyl]-1,3-benzodioxol-5-yl]benzoic acid IUPAC Name: 3,4,5-trimethoxy-2-[6-[(E)-3-methoxy-3-oxoprop-1-enyl]-1,3-benzodioxol-5-yl]benzoic acid Traditional Name: 2-[6-[(E)-3-keto-3-methoxy-prop-1-enyl]-1,3-benzodioxol-5-yl]-3,4,5-trimethoxy-benzoic acid Formula: C21H20O9 MolecularWeight: 416.3781

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C(=O)O)C2=CC3=C(C=C2C=CC(=O)OC)OCO3)OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)C(=O)O)C2=CC3=C(C=C2/C=C/C(=O)OC)OCO3)OC)OC

InChI

InChI=1S/C21H20O9/c1-25-16-9-13(21(23)24)18(20(28-4)19(16)27-3)12-8-15-14(29-10-30-15)7-11(12)5-6-17(22)26-2/h5-9H,10H2,1-4H3,(H,23,24)/b6-5+