[8-butanoyloxy-4,5-bis(chloranyl)-9,10-bis(oxidanylidene)anthracen-1-yl] butanoate

Systemtic Name: [8-butanoyloxy-4,5-bis(chloranyl)-9,10-bis(oxidanylidene)anthracen-1-yl] butanoate Openeye Name: (8-butanoyloxy-4,5-dichloro-9,10-dioxo-1-anthryl) butanoate CAS Name: butanoic acid [4,5-dichloro-9,10-dioxo-8-(1-oxobutoxy)-1-anthracenyl] ester IUPAC Name: (8-butanoyloxy-4,5-dichloro-9,10-dioxoanthracen-1-yl) butanoate Traditional Name: butyric acid (8-butyryloxy-4,5-dichloro-9,10-diketo-1-anthryl) ester Formula: C22H18Cl2O6 MolecularWeight: 449.28072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=C2C(=C(C=C1)Cl)C(=O)C3=C(C=CC(=C3C2=O)OC(=O)CCC)Cl

Isomeric SMILES

CCCC(=O)OC1=C2C(=C(C=C1)Cl)C(=O)C3=C(C=CC(=C3C2=O)OC(=O)CCC)Cl

InChI

InChI=1S/C22H18Cl2O6/c1-3-5-15(25)29-13-9-7-11(23)17-19(13)22(28)20-14(30-16(26)6-4-2)10-8-12(24)18(20)21(17)27/h7-10H,3-6H2,1-2H3