O5-diethoxyphosphoryl O1-(phenylmethyl) 2-diethoxyphosphoryl-2-methyl-pentanedioate

Systemtic Name: O5-diethoxyphosphoryl O1-(phenylmethyl) 2-diethoxyphosphoryl-2-methyl-pentanedioate Openeye Name: O1-benzyl O5-diethoxyphosphoryl 2-diethoxyphosphoryl-2-methyl-pentanedioate CAS Name: 2-diethoxyphosphoryl-2-methylpentanedioic acid O5-diethoxyphosphoryl ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 5-O-diethoxyphosphoryl 2-diethoxyphosphoryl-2-methylpentanedioate Traditional Name: 2-diethoxyphosphoryl-2-methyl-glutaric acid O1-benzyl ester O5-diethoxyphosphoryl ester Formula: C21H34O10P2 MolecularWeight: 508.436182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(C)(CCC(=O)OP(=O)(OCC)OCC)C(=O)OCC1=CC=CC=C1)OCC

Isomeric SMILES

CCOP(=O)(C(C)(CCC(=O)OP(=O)(OCC)OCC)C(=O)OCC1=CC=CC=C1)OCC

InChI

InChI=1S/C21H34O10P2/c1-6-27-32(24,28-7-2)21(5,20(23)26-17-18-13-11-10-12-14-18)16-15-19(22)31-33(25,29-8-3)30-9-4/h10-14H,6-9,15-17H2,1-5H3