(1-diphenylphosphoryl-3-methylidene-heptan-2-yl) ethanoate

Systemtic Name: (1-diphenylphosphoryl-3-methylidene-heptan-2-yl) ethanoate Openeye Name: [1-(diphenylphosphorylmethyl)-2-methylene-hexyl] acetate CAS Name: acetic acid (1-diphenylphosphoryl-3-methyleneheptan-2-yl) ester IUPAC Name: (1-diphenylphosphoryl-3-methylideneheptan-2-yl) acetate Traditional Name: acetic acid [2-butyl-1-(diphenylphosphorylmethyl)allyl] ester Formula: C22H27O3P MolecularWeight: 370.421741

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=C)C(CP(=O)(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)C

Isomeric SMILES

CCCCC(=C)C(CP(=O)(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)C

InChI

InChI=1S/C22H27O3P/c1-4-5-12-18(2)22(25-19(3)23)17-26(24,20-13-8-6-9-14-20)21-15-10-7-11-16-21/h6-11,13-16,22H,2,4-5,12,17H2,1,3H3