[3-chloranyl-1-[phenoxy(phenylmethoxy)phosphoryl]oxy-propyl] 2,2-dimethylpropanoate

Systemtic Name: [3-chloranyl-1-[phenoxy(phenylmethoxy)phosphoryl]oxy-propyl] 2,2-dimethylpropanoate Openeye Name: [1-[benzyloxy(phenoxy)phosphoryl]oxy-3-chloro-propyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [3-chloro-1-[phenoxy(phenylmethoxy)phosphoryl]oxypropyl] ester IUPAC Name: [3-chloro-1-[phenoxy(phenylmethoxy)phosphoryl]oxypropyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [1-[benzoxy(phenoxy)phosphoryl]oxy-3-chloro-propyl] ester Formula: C21H26ClO6P MolecularWeight: 440.854301

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC(CCCl)OP(=O)(OCC1=CC=CC=C1)OC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C(=O)OC(CCCl)OP(=O)(OCC1=CC=CC=C1)OC2=CC=CC=C2

InChI

InChI=1S/C21H26ClO6P/c1-21(2,3)20(23)26-19(14-15-22)28-29(24,27-18-12-8-5-9-13-18)25-16-17-10-6-4-7-11-17/h4-13,19H,14-16H2,1-3H3