[3-(1,3-benzodioxol-5-yl)-4-oxidanylidene-6-propyl-chromen-7-yl] ethanoate

Systemtic Name: [3-(1,3-benzodioxol-5-yl)-4-oxidanylidene-6-propyl-chromen-7-yl] ethanoate Openeye Name: [3-(1,3-benzodioxol-5-yl)-4-oxo-6-propyl-chromen-7-yl] acetate CAS Name: acetic acid [3-(1,3-benzodioxol-5-yl)-4-oxo-6-propyl-1-benzopyran-7-yl] ester IUPAC Name: [3-(1,3-benzodioxol-5-yl)-4-oxo-6-propylchromen-7-yl] acetate Traditional Name: acetic acid [3-(1,3-benzodioxol-5-yl)-4-keto-6-propyl-chromen-7-yl] ester Formula: C21H18O6 MolecularWeight: 366.36402

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCO4)OC(=O)C

Isomeric SMILES

CCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCO4)OC(=O)C

InChI

InChI=1S/C21H18O6/c1-3-4-14-7-15-19(9-18(14)27-12(2)22)24-10-16(21(15)23)13-5-6-17-20(8-13)26-11-25-17/h5-10H,3-4,11H2,1-2H3