3,5-ditert-butyl-4-(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonyloxy-benzoic acid; 2-(hydroxymethyl)-2-methyl-propane-1,3-diol

Systemtic Name: 3,5-ditert-butyl-4-(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonyloxy-benzoic acid; 2-(hydroxymethyl)-2-methyl-propane-1,3-diol Openeye Name: 3,5-ditert-butyl-4-(3,5-ditert-butyl-4-hydroxy-benzoyl)oxy-benzoic acid; 2-(hydroxymethyl)-2-methyl-propane-1,3-diol CAS Name: 3,5-ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)-oxomethoxy]benzoic acid; 2-(hydroxymethyl)-2-methylpropane-1,3-diol IUPAC Name: 3,5-ditert-butyl-4-(3,5-ditert-butyl-4-hydroxybenzoyl)oxybenzoic acid; 2-(hydroxymethyl)-2-methylpropane-1,3-diol Traditional Name: 3,5-ditert-butyl-4-(3,5-ditert-butyl-4-hydroxy-benzoyl)oxy-benzoic acid; 2-methyl-2-methylol-propane-1,3-diol Formula: C95H138O18 MolecularWeight: 1568.10142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)OC2=C(C=C(C=C2C(C)(C)C)C(=O)O)C(C)(C)C.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)OC2=C(C=C(C=C2C(C)(C)C)C(=O)O)C(C)(C)C.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)OC2=C(C=C(C=C2C(C)(C)C)C(=O)O)C(C)(C)C.CC(CO)(CO)CO

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)OC2=C(C=C(C=C2C(C)(C)C)C(=O)O)C(C)(C)C.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)OC2=C(C=C(C=C2C(C)(C)C)C(=O)O)C(C)(C)C.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)OC2=C(C=C(C=C2C(C)(C)C)C(=O)O)C(C)(C)C.CC(CO)(CO)CO

InChI

InChI=1S/3C30H42O5.C5H12O3/c3*1-27(2,3)19-15-18(16-20(23(19)31)28(4,5)6)26(34)35-24-21(29(7,8)9)13-17(25(32)33)14-22(24)30(10,11)12;1-5(2-6,3-7)4-8/h3*13-16,31H,1-12H3,(H,32,33);6-8H,2-4H2,1H3