methyl 4-[4-[2,3-bis(oxidanyl)propoxy]-3,5-dimethyl-phenyl]-2-propan-2-yl-benzoate

Systemtic Name: methyl 4-[4-[2,3-bis(oxidanyl)propoxy]-3,5-dimethyl-phenyl]-2-propan-2-yl-benzoate Openeye Name: methyl 4-[4-(2,3-dihydroxypropoxy)-3,5-dimethyl-phenyl]-2-isopropyl-benzoate CAS Name: 4-[4-(2,3-dihydroxypropoxy)-3,5-dimethylphenyl]-2-propan-2-ylbenzoic acid methyl ester IUPAC Name: methyl 4-[4-(2,3-dihydroxypropoxy)-3,5-dimethylphenyl]-2-propan-2-ylbenzoate Traditional Name: 4-(4-glyceryloxy-3,5-dimethyl-phenyl)-2-isopropyl-benzoic acid methyl ester Formula: C22H28O5 MolecularWeight: 372.45472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(CO)O)C)C2=CC(=C(C=C2)C(=O)OC)C(C)C

Isomeric SMILES

CC1=CC(=CC(=C1OCC(CO)O)C)C2=CC(=C(C=C2)C(=O)OC)C(C)C

InChI

InChI=1S/C22H28O5/c1-13(2)20-10-16(6-7-19(20)22(25)26-5)17-8-14(3)21(15(4)9-17)27-12-18(24)11-23/h6-10,13,18,23-24H,11-12H2,1-5H3