dimethyl 2-[2-[2-ethyl-3,5-bis(oxidanyl)-6-phenyl-phenyl]ethyl]propanedioate

Systemtic Name: dimethyl 2-[2-[2-ethyl-3,5-bis(oxidanyl)-6-phenyl-phenyl]ethyl]propanedioate Openeye Name: dimethyl 2-[2-(2-ethyl-3,5-dihydroxy-6-phenyl-phenyl)ethyl]propanedioate CAS Name: 2-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]propanedioate Traditional Name: 2-[2-(2-ethyl-3,5-dihydroxy-6-phenyl-phenyl)ethyl]malonic acid dimethyl ester Formula: C21H24O6 MolecularWeight: 372.41166

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1CCC(C(=O)OC)C(=O)OC)C2=CC=CC=C2)O)O

Isomeric SMILES

CCC1=C(C=C(C(=C1CCC(C(=O)OC)C(=O)OC)C2=CC=CC=C2)O)O

InChI

InChI=1S/C21H24O6/c1-4-14-15(10-11-16(20(24)26-2)21(25)27-3)19(18(23)12-17(14)22)13-8-6-5-7-9-13/h5-9,12,16,22-23H,4,10-11H2,1-3H3