3-[3-(1,3-benzodioxol-5-yl)-6-ethyl-2-methyl-4-oxidanylidene-chromen-7-yl]propanoate

Systemtic Name: 3-[3-(1,3-benzodioxol-5-yl)-6-ethyl-2-methyl-4-oxidanylidene-chromen-7-yl]propanoate Openeye Name: 3-[3-(1,3-benzodioxol-5-yl)-6-ethyl-2-methyl-4-oxo-chromen-7-yl]propanoate CAS Name: 3-[3-(1,3-benzodioxol-5-yl)-6-ethyl-2-methyl-4-oxo-1-benzopyran-7-yl]propanoate IUPAC Name: 3-[3-(1,3-benzodioxol-5-yl)-6-ethyl-2-methyl-4-oxochromen-7-yl]propanoate Traditional Name: 3-[3-(1,3-benzodioxol-5-yl)-6-ethyl-4-keto-2-methyl-chromen-7-yl]propionate Formula: C22H19O6- MolecularWeight: 379.38266

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C3=CC4=C(C=C3)OCO4)CCC(=O)[O-]

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C3=CC4=C(C=C3)OCO4)CCC(=O)[O-]

InChI

InChI=1S/C22H20O6/c1-3-13-8-16-18(9-14(13)5-7-20(23)24)28-12(2)21(22(16)25)15-4-6-17-19(10-15)27-11-26-17/h4,6,8-10H,3,5,7,11H2,1-2H3,(H,23,24)/p-1