ethyl 3-(2-chloranyl-4-ethoxy-5-methoxy-phenyl)propanoate; methyl(triphenyl)phosphanium

Systemtic Name: ethyl 3-(2-chloranyl-4-ethoxy-5-methoxy-phenyl)propanoate; methyl(triphenyl)phosphanium Openeye Name: ethyl 3-(2-chloro-4-ethoxy-5-methoxy-phenyl)propanoate; methyl(triphenyl)phosphonium CAS Name: 3-(2-chloro-4-ethoxy-5-methoxyphenyl)propanoic acid ethyl ester; methyl(triphenyl)phosphonium IUPAC Name: ethyl 3-(2-chloro-4-ethoxy-5-methoxyphenyl)propanoate; methyl(triphenyl)phosphanium Traditional Name: 3-(2-chloro-4-ethoxy-5-methoxy-phenyl)propionic acid ethyl ester; methyl(triphenyl)phosphonium Formula: C33H37ClO4P+ MolecularWeight: 564.071241

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)Cl)CCC(=O)OCC)OC.C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=C(C(=C1)Cl)CCC(=O)OCC)OC.C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C19H18P.C14H19ClO4/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-4-18-13-9-11(15)10(8-12(13)17-3)6-7-14(16)19-5-2/h2-16H,1H3;8-9H,4-7H2,1-3H3/q+1;