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

Systemtic Name: O3-tert-butyl O1-methyl 2-[(E,2R)-4-dimethoxyphosphoryl-1-(3-methoxyphenyl)but-3-en-2-yl]propanedioate Openeye Name: O1-tert-butyl O3-methyl 2-[(E,1R)-3-dimethoxyphosphoryl-1-[(3-methoxyphenyl)methyl]allyl]propanedioate CAS Name: 2-[(E,2R)-4-dimethoxyphosphoryl-1-(3-methoxyphenyl)but-3-en-2-yl]propanedioic acid O3-tert-butyl ester O1-methyl ester IUPAC Name: 3-O-tert-butyl 1-O-methyl 2-[(E,2R)-4-dimethoxyphosphoryl-1-(3-methoxyphenyl)but-3-en-2-yl]propanedioate Traditional Name: 2-[(E,1R)-3-dimethoxyphosphoryl-1-m-anisyl-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(CC1=CC(=CC=C1)OC)C=CP(=O)(OC)OC)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)C([C@@H](CC1=CC(=CC=C1)OC)/C=C/P(=O)(OC)OC)C(=O)OC

InChI

InChI=1S/C21H31O8P/c1-21(2,3)29-20(23)18(19(22)26-5)16(11-12-30(24,27-6)28-7)13-15-9-8-10-17(14-15)25-4/h8-12,14,16,18H,13H2,1-7H3/b12-11+/t16-,18?/m1/s1