(4-tert-butylphenyl)methyl 1-chloranyl-9,10-bis(oxidanylidene)anthracene-2-carboxylate

Systemtic Name: (4-tert-butylphenyl)methyl 1-chloranyl-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: (4-tert-butylphenyl)methyl 1-chloro-9,10-dioxo-anthracene-2-carboxylate CAS Name: 1-chloro-9,10-dioxo-2-anthracenecarboxylic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl 1-chloro-9,10-dioxoanthracene-2-carboxylate Traditional Name: 1-chloro-9,10-diketo-anthracene-2-carboxylic acid (4-tert-butylbenzyl) ester Formula: C26H21ClO4 MolecularWeight: 432.89554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)COC(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)COC(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)Cl

InChI

InChI=1S/C26H21ClO4/c1-26(2,3)16-10-8-15(9-11-16)14-31-25(30)20-13-12-19-21(22(20)27)24(29)18-7-5-4-6-17(18)23(19)28/h4-13H,14H2,1-3H3