phenyl 3-[4-bis[2-tert-butyl-4-(3-oxidanylidene-3-phenoxy-propyl)phenoxy]phosphanyloxy-3-tert-butyl-phenyl]propanoate

Systemtic Name: phenyl 3-[4-bis[2-tert-butyl-4-(3-oxidanylidene-3-phenoxy-propyl)phenoxy]phosphanyloxy-3-tert-butyl-phenyl]propanoate Openeye Name: phenyl 3-[4-bis[2-tert-butyl-4-(3-oxo-3-phenoxy-propyl)phenoxy]phosphanyloxy-3-tert-butyl-phenyl]propanoate CAS Name: 3-[4-bis[2-tert-butyl-4-(3-oxo-3-phenoxypropyl)phenoxy]phosphinooxy-3-tert-butylphenyl]propanoic acid phenyl ester IUPAC Name: phenyl 3-[4-bis[2-tert-butyl-4-(3-oxo-3-phenoxypropyl)phenoxy]phosphanyloxy-3-tert-butylphenyl]propanoate Traditional Name: 3-[4-bis[2-tert-butyl-4-(3-keto-3-phenoxy-propyl)phenoxy]phosphinooxy-3-tert-butyl-phenyl]propionic acid phenyl ester Formula: C57H63O9P MolecularWeight: 923.078481

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)CCC(=O)OC2=CC=CC=C2)OP(OC3=C(C=C(C=C3)CCC(=O)OC4=CC=CC=C4)C(C)(C)C)OC5=C(C=C(C=C5)CCC(=O)OC6=CC=CC=C6)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)CCC(=O)OC2=CC=CC=C2)OP(OC3=C(C=C(C=C3)CCC(=O)OC4=CC=CC=C4)C(C)(C)C)OC5=C(C=C(C=C5)CCC(=O)OC6=CC=CC=C6)C(C)(C)C

InChI

InChI=1S/C57H63O9P/c1-55(2,3)46-37-40(28-34-52(58)61-43-19-13-10-14-20-43)25-31-49(46)64-67(65-50-32-26-41(38-47(50)56(4,5)6)29-35-53(59)62-44-21-15-11-16-22-44)66-51-33-27-42(39-48(51)57(7,8)9)30-36-54(60)63-45-23-17-12-18-24-45/h10-27,31-33,37-39H,28-30,34-36H2,1-9H3