O1-butyl O3-tert-butyl 2-[(3-tert-butylphenyl)methyl]-2-oxidanyl-propanedioate

Systemtic Name: O1-butyl O3-tert-butyl 2-[(3-tert-butylphenyl)methyl]-2-oxidanyl-propanedioate Openeye Name: O1-butyl O3-tert-butyl 2-[(3-tert-butylphenyl)methyl]-2-hydroxy-propanedioate CAS Name: 2-[(3-tert-butylphenyl)methyl]-2-hydroxypropanedioic acid O1-butyl ester O3-tert-butyl ester IUPAC Name: 1-O-butyl 3-O-tert-butyl 2-[(3-tert-butylphenyl)methyl]-2-hydroxypropanedioate Traditional Name: 2-(3-tert-butylbenzyl)-2-hydroxy-malonic acid O1-butyl ester O3-tert-butyl ester Formula: C22H34O5 MolecularWeight: 378.50236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(CC1=CC(=CC=C1)C(C)(C)C)(C(=O)OC(C)(C)C)O

Isomeric SMILES

CCCCOC(=O)C(CC1=CC(=CC=C1)C(C)(C)C)(C(=O)OC(C)(C)C)O

InChI

InChI=1S/C22H34O5/c1-8-9-13-26-18(23)22(25,19(24)27-21(5,6)7)15-16-11-10-12-17(14-16)20(2,3)4/h10-12,14,25H,8-9,13,15H2,1-7H3