3-methylbutyl 2-[2-(2,6-dimethoxyphenyl)-2-oxidanylidene-ethanoyl]-2-phosphanyl-hexanoate

Systemtic Name: 3-methylbutyl 2-[2-(2,6-dimethoxyphenyl)-2-oxidanylidene-ethanoyl]-2-phosphanyl-hexanoate Openeye Name: isopentyl 2-[2-(2,6-dimethoxyphenyl)-2-oxo-acetyl]-2-phosphanyl-hexanoate CAS Name: 2-[2-(2,6-dimethoxyphenyl)-1,2-dioxoethyl]-2-phosphinohexanoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[2-(2,6-dimethoxyphenyl)-2-oxoacetyl]-2-phosphanylhexanoate Traditional Name: 2-[2-(2,6-dimethoxyphenyl)-2-keto-acetyl]-2-phosphino-hexanoic acid isoamyl ester Formula: C21H31O6P MolecularWeight: 410.441001

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)C(=O)C1=C(C=CC=C1OC)OC)(C(=O)OCCC(C)C)P

Isomeric SMILES

CCCCC(C(=O)C(=O)C1=C(C=CC=C1OC)OC)(C(=O)OCCC(C)C)P

InChI

InChI=1S/C21H31O6P/c1-6-7-12-21(28,20(24)27-13-11-14(2)3)19(23)18(22)17-15(25-4)9-8-10-16(17)26-5/h8-10,14H,6-7,11-13,28H2,1-5H3