[3,8-dimethoxy-1-methyl-11-oxidanyl-7,10,12-tris(oxidanylidene)benzo[b]xanthen-6-yl] benzoate

Systemtic Name: [3,8-dimethoxy-1-methyl-11-oxidanyl-7,10,12-tris(oxidanylidene)benzo[b]xanthen-6-yl] benzoate Openeye Name: (11-hydroxy-3,8-dimethoxy-1-methyl-7,10,12-trioxo-benzo[b]xanthen-6-yl) benzoate CAS Name: benzoic acid (11-hydroxy-3,8-dimethoxy-1-methyl-7,10,12-trioxo-6-benzo[b]xanthenyl) ester IUPAC Name: (11-hydroxy-3,8-dimethoxy-1-methyl-7,10,12-trioxobenzo[b]xanthen-6-yl) benzoate Traditional Name: benzoic acid (11-hydroxy-7,10,12-triketo-3,8-dimethoxy-1-methyl-benzo[b]xanthen-6-yl) ester Formula: C27H18O9 MolecularWeight: 486.42642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1C(=O)C3=C(O2)C(=C4C(=C3O)C(=O)C=C(C4=O)OC)OC(=O)C5=CC=CC=C5)OC

Isomeric SMILES

CC1=CC(=CC2=C1C(=O)C3=C(O2)C(=C4C(=C3O)C(=O)C=C(C4=O)OC)OC(=O)C5=CC=CC=C5)OC

InChI

InChI=1S/C27H18O9/c1-12-9-14(33-2)10-16-18(12)23(30)21-24(31)19-15(28)11-17(34-3)22(29)20(19)25(26(21)35-16)36-27(32)13-7-5-4-6-8-13/h4-11,31H,1-3H3