tert-butyl 3-oxidanylidene-4-(phenylmethyl)-2-(triphenyl-$l^{5}-phosphanylidene)heptanoate

Systemtic Name: tert-butyl 3-oxidanylidene-4-(phenylmethyl)-2-(triphenyl-$l^{5}-phosphanylidene)heptanoate Openeye Name: tert-butyl 4-benzyl-3-oxo-2-(triphenyl-$l^{5}-phosphanylidene)heptanoate CAS Name: 3-oxo-4-(phenylmethyl)-2-triphenylphosphoranylideneheptanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-benzyl-3-oxo-2-(triphenyl-$l^{5}-phosphanylidene)heptanoate Traditional Name: 4-benzyl-3-keto-2-triphenylphosphoranylidene-enanthic acid tert-butyl ester Formula: C36H39O3P MolecularWeight: 550.666821

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC1=CC=CC=C1)C(=O)C(=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC(C)(C)C

Isomeric SMILES

CCCC(CC1=CC=CC=C1)C(=O)C(=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC(C)(C)C

InChI

InChI=1S/C36H39O3P/c1-5-18-29(27-28-19-10-6-11-20-28)33(37)34(35(38)39-36(2,3)4)40(30-21-12-7-13-22-30,31-23-14-8-15-24-31)32-25-16-9-17-26-32/h6-17,19-26,29H,5,18,27H2,1-4H3