3-[2-bis(phenylmethoxy)phosphoryloxy-4,6-dimethyl-phenyl]-3-methyl-butanoic acid

Systemtic Name: 3-[2-bis(phenylmethoxy)phosphoryloxy-4,6-dimethyl-phenyl]-3-methyl-butanoic acid Openeye Name: 3-(2-dibenzyloxyphosphoryloxy-4,6-dimethyl-phenyl)-3-methyl-butanoic acid CAS Name: 3-[2-bis(phenylmethoxy)phosphoryloxy-4,6-dimethylphenyl]-3-methylbutanoic acid IUPAC Name: 3-[2-bis(phenylmethoxy)phosphoryloxy-4,6-dimethylphenyl]-3-methylbutanoic acid Traditional Name: 3-(2-dibenzoxyphosphoryloxy-4,6-dimethyl-phenyl)-3-methyl-butyric acid Formula: C27H31O6P MolecularWeight: 482.505201

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OP(=O)(OCC2=CC=CC=C2)OCC3=CC=CC=C3)C(C)(C)CC(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OP(=O)(OCC2=CC=CC=C2)OCC3=CC=CC=C3)C(C)(C)CC(=O)O)C

InChI

InChI=1S/C27H31O6P/c1-20-15-21(2)26(27(3,4)17-25(28)29)24(16-20)33-34(30,31-18-22-11-7-5-8-12-22)32-19-23-13-9-6-10-14-23/h5-16H,17-19H2,1-4H3,(H,28,29)