4-[[4-methyl-3-(3-oxidanidyl-3-oxidanylidene-propyl)-2-oxidanylidene-chromen-7-yl]oxymethyl]benzoate

Systemtic Name: 4-[[4-methyl-3-(3-oxidanidyl-3-oxidanylidene-propyl)-2-oxidanylidene-chromen-7-yl]oxymethyl]benzoate Openeye Name: 4-[[4-methyl-3-(3-oxido-3-oxo-propyl)-2-oxo-chromen-7-yl]oxymethyl]benzoate CAS Name: 4-[[4-methyl-3-(3-oxido-3-oxopropyl)-2-oxo-1-benzopyran-7-yl]oxymethyl]benzoate IUPAC Name: 4-[[4-methyl-3-(3-oxido-3-oxopropyl)-2-oxochromen-7-yl]oxymethyl]benzoate Traditional Name: 4-[[2-keto-3-(3-keto-3-oxido-propyl)-4-methyl-chromen-7-yl]oxymethyl]benzoate Formula: C21H16O7-2 MolecularWeight: 380.34754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC3=CC=C(C=C3)C(=O)[O-])CCC(=O)[O-]

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC3=CC=C(C=C3)C(=O)[O-])CCC(=O)[O-]

InChI

InChI=1S/C21H18O7/c1-12-16-7-6-15(27-11-13-2-4-14(5-3-13)20(24)25)10-18(16)28-21(26)17(12)8-9-19(22)23/h2-7,10H,8-9,11H2,1H3,(H,22,23)(H,24,25)/p-2