(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 4-[4-(4-tert-butylphenyl)-2-oxidanyl-butoxy]benzoate

Systemtic Name: (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 4-[4-(4-tert-butylphenyl)-2-oxidanyl-butoxy]benzoate Openeye Name: (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 4-[4-(4-tert-butylphenyl)-2-hydroxy-butoxy]benzoate CAS Name: 4-[4-(4-tert-butylphenyl)-2-hydroxybutoxy]benzoic acid (2,2-dimethyl-1,3-dioxolan-4-yl)methyl ester IUPAC Name: (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 4-[4-(4-tert-butylphenyl)-2-hydroxybutoxy]benzoate Traditional Name: 4-[4-(4-tert-butylphenyl)-2-hydroxy-butoxy]benzoic acid (2,2-dimethyl-1,3-dioxolan-4-yl)methyl ester Formula: C27H36O6 MolecularWeight: 456.57114

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(O1)COC(=O)C2=CC=C(C=C2)OCC(CCC3=CC=C(C=C3)C(C)(C)C)O)C

Isomeric SMILES

CC1(OCC(O1)COC(=O)C2=CC=C(C=C2)OCC(CCC3=CC=C(C=C3)C(C)(C)C)O)C

InChI

InChI=1S/C27H36O6/c1-26(2,3)21-11-6-19(7-12-21)8-13-22(28)16-30-23-14-9-20(10-15-23)25(29)31-17-24-18-32-27(4,5)33-24/h6-7,9-12,14-15,22,24,28H,8,13,16-18H2,1-5H3