6-chloranyl-7-ethoxy-3,3-dimethyl-5,7-bis(oxidanylidene)-6-triphenylphosphaniumyl-heptanoate

Systemtic Name: 6-chloranyl-7-ethoxy-3,3-dimethyl-5,7-bis(oxidanylidene)-6-triphenylphosphaniumyl-heptanoate Openeye Name: 6-chloro-7-ethoxy-3,3-dimethyl-5,7-dioxo-6-triphenylphosphaniumyl-heptanoate CAS Name: 6-chloro-7-ethoxy-3,3-dimethyl-5,7-dioxo-6-triphenylphosphiniumylheptanoate IUPAC Name: 6-chloro-7-ethoxy-3,3-dimethyl-5,7-dioxo-6-triphenylphosphaniumylheptanoate Traditional Name: 6-chloro-7-ethoxy-5,7-diketo-3,3-dimethyl-6-triphenylphosphiniumyl-enanthate Formula: C29H30ClO5P MolecularWeight: 524.972261

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H30ClO5P/c1-4-35-27(34)29(30,25(31)20-28(2,3)21-26(32)33)36(22-14-8-5-9-15-22,23-16-10-6-11-17-23)24-18-12-7-13-19-24/h5-19H,4,20-21H2,1-3H3