7,7-dimethyl-5-oxidanyl-3-oxidanylidene-6-(triphenylmethyl)oxy-octanoate

Systemtic Name: 7,7-dimethyl-5-oxidanyl-3-oxidanylidene-6-(triphenylmethyl)oxy-octanoate Openeye Name: 5-hydroxy-7,7-dimethyl-3-oxo-6-trityloxy-octanoate CAS Name: 5-hydroxy-7,7-dimethyl-3-oxo-6-(triphenylmethyl)oxyoctanoate IUPAC Name: 5-hydroxy-7,7-dimethyl-3-oxo-6-trityloxyoctanoate Traditional Name: 5-hydroxy-3-keto-7,7-dimethyl-6-trityloxy-caprylate Formula: C29H31O5- MolecularWeight: 459.55344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(CC(=O)CC(=O)[O-])O)OC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(C(CC(=O)CC(=O)[O-])O)OC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C29H32O5/c1-28(2,3)27(25(31)19-24(30)20-26(32)33)34-29(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-18,25,27,31H,19-20H2,1-3H3,(H,32,33)/p-1