(3,3-dimethyl-2-oxidanylidene-butyl) 1-chloranyl-9,10-bis(oxidanylidene)anthracene-2-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 1-chloranyl-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 1-chloro-9,10-dioxo-anthracene-2-carboxylate CAS Name: 1-chloro-9,10-dioxo-2-anthracenecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 1-chloro-9,10-dioxoanthracene-2-carboxylate Traditional Name: 1-chloro-9,10-diketo-anthracene-2-carboxylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C21H17ClO5 MolecularWeight: 384.80968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)Cl

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)Cl

InChI

InChI=1S/C21H17ClO5/c1-21(2,3)15(23)10-27-20(26)14-9-8-13-16(17(14)22)19(25)12-7-5-4-6-11(12)18(13)24/h4-9H,10H2,1-3H3