1,3-di(anthracen-9-yl)propan-2-yl 4-chloranyl-4-oxidanylidene-butanoate

Systemtic Name: 1,3-di(anthracen-9-yl)propan-2-yl 4-chloranyl-4-oxidanylidene-butanoate Openeye Name: [2-(9-anthryl)-1-(9-anthrylmethyl)ethyl] 4-chloro-4-oxo-butanoate CAS Name: 4-chloro-4-oxobutanoic acid 1,3-bis(9-anthracenyl)propan-2-yl ester IUPAC Name: 1,3-di(anthracen-9-yl)propan-2-yl 4-chloro-4-oxobutanoate Traditional Name: 4-chloro-4-keto-butyric acid [2-(9-anthryl)-1-(9-anthrylmethyl)ethyl] ester Formula: C35H27ClO3 MolecularWeight: 531.04008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2CC(CC4=C5C=CC=CC5=CC6=CC=CC=C64)OC(=O)CCC(=O)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2CC(CC4=C5C=CC=CC5=CC6=CC=CC=C64)OC(=O)CCC(=O)Cl

InChI

InChI=1S/C35H27ClO3/c36-34(37)17-18-35(38)39-27(21-32-28-13-5-1-9-23(28)19-24-10-2-6-14-29(24)32)22-33-30-15-7-3-11-25(30)20-26-12-4-8-16-31(26)33/h1-16,19-20,27H,17-18,21-22H2