(3,6,7-triacetyloxy-9-oxidanylidene-xanthen-2-yl) ethanoate

Systemtic Name: (3,6,7-triacetyloxy-9-oxidanylidene-xanthen-2-yl) ethanoate Openeye Name: (3,6,7-triacetoxy-9-oxo-xanthen-2-yl) acetate CAS Name: acetic acid (3,6,7-triacetyloxy-9-oxo-2-xanthenyl) ester IUPAC Name: (3,6,7-triacetyloxy-9-oxoxanthen-2-yl) acetate Traditional Name: acetic acid (3,6,7-triacetoxy-9-keto-xanthen-2-yl) ester Formula: C21H16O10 MolecularWeight: 428.34574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C2C(=C1)C(=O)C3=CC(=C(C=C3O2)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OC1=C(C=C2C(=C1)C(=O)C3=CC(=C(C=C3O2)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C21H16O10/c1-9(22)27-17-5-13-15(7-19(17)29-11(3)24)31-16-8-20(30-12(4)25)18(28-10(2)23)6-14(16)21(13)26/h5-8H,1-4H3