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

Systemtic Name: 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoic acid; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol Openeye Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoic acid; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol CAS Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol IUPAC Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol Traditional Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propionic acid; 2-ethyl-2-methylol-propane-1,3-diol Formula: C23H40O6 MolecularWeight: 412.5601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26O3.C6H14O3/c1-16(2,3)12-9-11(7-8-14(18)19)10-13(15(12)20)17(4,5)6;1-2-6(3-7,4-8)5-9/h9-10,20H,7-8H2,1-6H3,(H,18,19);7-9H,2-5H2,1H3