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

Systemtic Name: 3,5-ditert-butyl-4-oxidanyl-benzoic acid; 2-(hydroxymethyl)-2-methyl-propane-1,3-diol Openeye Name: 3,5-ditert-butyl-4-hydroxy-benzoic acid; 2-(hydroxymethyl)-2-methyl-propane-1,3-diol CAS Name: 3,5-ditert-butyl-4-hydroxybenzoic acid; 2-(hydroxymethyl)-2-methylpropane-1,3-diol IUPAC Name: 3,5-ditert-butyl-4-hydroxybenzoic acid; 2-(hydroxymethyl)-2-methylpropane-1,3-diol Traditional Name: 3,5-ditert-butyl-4-hydroxy-benzoic acid; 2-methyl-2-methylol-propane-1,3-diol Formula: C50H78O12 MolecularWeight: 871.14712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C15H22O3.C5H12O3/c3*1-14(2,3)10-7-9(13(17)18)8-11(12(10)16)15(4,5)6;1-5(2-6,3-7)4-8/h3*7-8,16H,1-6H3,(H,17,18);6-8H,2-4H2,1H3