[4-[[(4-butanoyloxyphenyl)methoxy-phenoxycarbonyl-phosphoryl]oxymethyl]phenyl] butanoate

Systemtic Name: [4-[[(4-butanoyloxyphenyl)methoxy-phenoxycarbonyl-phosphoryl]oxymethyl]phenyl] butanoate Openeye Name: [4-[[(4-butanoyloxyphenyl)methoxy-phenoxycarbonyl-phosphoryl]oxymethyl]phenyl] butanoate CAS Name: butanoic acid [4-[[[4-(1-oxobutoxy)phenyl]methoxy-[oxo(phenoxy)methyl]phosphoryl]oxymethyl]phenyl] ester IUPAC Name: [4-[[(4-butanoyloxyphenyl)methoxy-phenoxycarbonylphosphoryl]oxymethyl]phenyl] butanoate Traditional Name: butyric acid [4-[[(4-butyryloxybenzyl)oxy-carbophenoxy-phosphoryl]oxymethyl]phenyl] ester Formula: C29H31O9P MolecularWeight: 554.524801

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=CC=C(C=C1)COP(=O)(C(=O)OC2=CC=CC=C2)OCC3=CC=C(C=C3)OC(=O)CCC

Isomeric SMILES

CCCC(=O)OC1=CC=C(C=C1)COP(=O)(C(=O)OC2=CC=CC=C2)OCC3=CC=C(C=C3)OC(=O)CCC

InChI

InChI=1S/C29H31O9P/c1-3-8-27(30)36-25-16-12-22(13-17-25)20-34-39(33,29(32)38-24-10-6-5-7-11-24)35-21-23-14-18-26(19-15-23)37-28(31)9-4-2/h5-7,10-19H,3-4,8-9,20-21H2,1-2H3