ethyl 3-(1,3-benzodioxol-5-yl)-6-ethyl-7-oxidanyl-4-oxidanylidene-chromene-2-carboxylate

Systemtic Name: ethyl 3-(1,3-benzodioxol-5-yl)-6-ethyl-7-oxidanyl-4-oxidanylidene-chromene-2-carboxylate Openeye Name: ethyl 3-(1,3-benzodioxol-5-yl)-6-ethyl-7-hydroxy-4-oxo-chromene-2-carboxylate CAS Name: 3-(1,3-benzodioxol-5-yl)-6-ethyl-7-hydroxy-4-oxo-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzodioxol-5-yl)-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylate Traditional Name: 3-(1,3-benzodioxol-5-yl)-6-ethyl-7-hydroxy-4-keto-chromene-2-carboxylic acid ethyl ester Formula: C21H18O7 MolecularWeight: 382.36342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C(=O)OCC)C3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C(=O)OCC)C3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C21H18O7/c1-3-11-7-13-16(9-14(11)22)28-20(21(24)25-4-2)18(19(13)23)12-5-6-15-17(8-12)27-10-26-15/h5-9,22H,3-4,10H2,1-2H3