3-(1,3-benzodioxol-5-yl)-7-oxidanyl-4-oxidanylidene-6-propyl-chromen-2-olate

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-7-oxidanyl-4-oxidanylidene-6-propyl-chromen-2-olate Openeye Name: 3-(1,3-benzodioxol-5-yl)-7-hydroxy-4-oxo-6-propyl-chromen-2-olate CAS Name: 3-(1,3-benzodioxol-5-yl)-7-hydroxy-4-oxo-6-propyl-1-benzopyran-2-olate IUPAC Name: 3-(1,3-benzodioxol-5-yl)-7-hydroxy-4-oxo-6-propylchromen-2-olate Traditional Name: 3-(1,3-benzodioxol-5-yl)-7-hydroxy-4-keto-6-propyl-chromen-2-olate Formula: C19H15O6- MolecularWeight: 339.3188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C2C(=C1)C(=O)C(=C(O2)[O-])C3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

CCCC1=C(C=C2C(=C1)C(=O)C(=C(O2)[O-])C3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C19H16O6/c1-2-3-10-6-12-15(8-13(10)20)25-19(22)17(18(12)21)11-4-5-14-16(7-11)24-9-23-14/h4-8,20,22H,2-3,9H2,1H3/p-1