6-chloranyl-7-ethoxy-5,7-bis(oxidanylidene)-6-triphenylphosphaniumyl-heptanoate

Systemtic Name: 6-chloranyl-7-ethoxy-5,7-bis(oxidanylidene)-6-triphenylphosphaniumyl-heptanoate Openeye Name: 6-chloro-7-ethoxy-5,7-dioxo-6-triphenylphosphaniumyl-heptanoate CAS Name: 6-chloro-7-ethoxy-5,7-dioxo-6-triphenylphosphiniumylheptanoate IUPAC Name: 6-chloro-7-ethoxy-5,7-dioxo-6-triphenylphosphaniumylheptanoate Traditional Name: 6-chloro-7-ethoxy-5,7-diketo-6-triphenylphosphiniumyl-enanthate Formula: C27H26ClO5P MolecularWeight: 496.919101

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)CCCC(=O)[O-])([P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)Cl

Isomeric SMILES

CCOC(=O)C(C(=O)CCCC(=O)[O-])([P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)Cl

InChI

InChI=1S/C27H26ClO5P/c1-2-33-26(32)27(28,24(29)19-12-20-25(30)31)34(21-13-6-3-7-14-21,22-15-8-4-9-16-22)23-17-10-5-11-18-23/h3-11,13-18H,2,12,19-20H2,1H3