O3-tert-butyl O1-methyl 2-[(E)-4-dimethoxyphosphoryl-1-phenylmethoxy-but-3-en-2-yl]propanedioate

Systemtic Name: O3-tert-butyl O1-methyl 2-[(E)-4-dimethoxyphosphoryl-1-phenylmethoxy-but-3-en-2-yl]propanedioate Openeye Name: O1-tert-butyl O3-methyl 2-[(E)-1-(benzyloxymethyl)-3-dimethoxyphosphoryl-allyl]propanedioate CAS Name: 2-[(E)-4-dimethoxyphosphoryl-1-phenylmethoxybut-3-en-2-yl]propanedioic acid O3-tert-butyl ester O1-methyl ester IUPAC Name: 3-O-tert-butyl 1-O-methyl 2-[(E)-4-dimethoxyphosphoryl-1-phenylmethoxybut-3-en-2-yl]propanedioate Traditional Name: 2-[(E)-1-(benzoxymethyl)-3-dimethoxyphosphoryl-allyl]malonic acid O1-tert-butyl ester O3-methyl ester Formula: C21H31O8P MolecularWeight: 442.439801

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C(COCC1=CC=CC=C1)C=CP(=O)(OC)OC)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)C(C(COCC1=CC=CC=C1)/C=C/P(=O)(OC)OC)C(=O)OC

InChI

InChI=1S/C21H31O8P/c1-21(2,3)29-20(23)18(19(22)25-4)17(12-13-30(24,26-5)27-6)15-28-14-16-10-8-7-9-11-16/h7-13,17-18H,14-15H2,1-6H3/b13-12+