3-methylbutyl 2-[2-(2,6-dimethoxyphenyl)-2-oxidanylidene-ethanoyl]-4-methyl-2-phosphanyl-pentanoate

Systemtic Name: 3-methylbutyl 2-[2-(2,6-dimethoxyphenyl)-2-oxidanylidene-ethanoyl]-4-methyl-2-phosphanyl-pentanoate Openeye Name: isopentyl 2-[2-(2,6-dimethoxyphenyl)-2-oxo-acetyl]-4-methyl-2-phosphanyl-pentanoate CAS Name: 2-[2-(2,6-dimethoxyphenyl)-1,2-dioxoethyl]-4-methyl-2-phosphinopentanoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[2-(2,6-dimethoxyphenyl)-2-oxoacetyl]-4-methyl-2-phosphanylpentanoate Traditional Name: 2-[2-(2,6-dimethoxyphenyl)-2-keto-acetyl]-4-methyl-2-phosphino-valeric acid isoamyl ester Formula: C21H31O6P MolecularWeight: 410.441001

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)C(CC(C)C)(C(=O)C(=O)C1=C(C=CC=C1OC)OC)P

Isomeric SMILES

CC(C)CCOC(=O)C(CC(C)C)(C(=O)C(=O)C1=C(C=CC=C1OC)OC)P

InChI

InChI=1S/C21H31O6P/c1-13(2)10-11-27-20(24)21(28,12-14(3)4)19(23)18(22)17-15(25-5)8-7-9-16(17)26-6/h7-9,13-14H,10-12,28H2,1-6H3