methylbenzene; methyl 2-(triphenyl-$l^{5}-phosphanylidene)ethanoate

Systemtic Name: methylbenzene; methyl 2-(triphenyl-$l^{5}-phosphanylidene)ethanoate Openeye Name: methyl 2-(triphenyl-$l^{5}-phosphanylidene)acetate; toluene CAS Name: toluene; 2-triphenylphosphoranylideneacetic acid methyl ester IUPAC Name: methyl 2-(triphenyl-$l^{5}-phosphanylidene)acetate; toluene Traditional Name: toluene; 2-triphenylphosphoranylideneacetic acid methyl ester Formula: C28H27O2P MolecularWeight: 426.486541

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1.COC(=O)C=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1.COC(=O)C=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H19O2P.C7H8/c1-23-21(22)17-24(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20;1-7-5-3-2-4-6-7/h2-17H,1H3;2-6H,1H3