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

Systemtic Name: 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoic acid; 2-(hydroxymethyl)-2-methyl-propane-1,3-diol Openeye Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoic acid; 2-(hydroxymethyl)-2-methyl-propane-1,3-diol CAS Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid; 2-(hydroxymethyl)-2-methylpropane-1,3-diol IUPAC Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid; 2-(hydroxymethyl)-2-methylpropane-1,3-diol Traditional Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propionic acid; 2-methyl-2-methylol-propane-1,3-diol Formula: C56H90O12 MolecularWeight: 955.3066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C17H26O3.C5H12O3/c3*1-16(2,3)12-9-11(7-8-14(18)19)10-13(15(12)20)17(4,5)6;1-5(2-6,3-7)4-8/h3*9-10,20H,7-8H2,1-6H3,(H,18,19);6-8H,2-4H2,1H3