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

Systemtic Name: 4-(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonyloxy-2,5-dimethyl-benzoic acid; 2-(hydroxymethyl)-2-propyl-propane-1,3-diol Openeye Name: 4-(3,5-ditert-butyl-4-hydroxy-benzoyl)oxy-2,5-dimethyl-benzoic acid; 2-(hydroxymethyl)-2-propyl-propane-1,3-diol CAS Name: 4-[(3,5-ditert-butyl-4-hydroxyphenyl)-oxomethoxy]-2,5-dimethylbenzoic acid; 2-(hydroxymethyl)-2-propylpropane-1,3-diol IUPAC Name: 4-(3,5-ditert-butyl-4-hydroxybenzoyl)oxy-2,5-dimethylbenzoic acid; 2-(hydroxymethyl)-2-propylpropane-1,3-diol Traditional Name: 4-(3,5-ditert-butyl-4-hydroxy-benzoyl)oxy-2,5-dimethyl-benzoic acid; 2-methylol-2-propyl-propane-1,3-diol Formula: C79H106O18 MolecularWeight: 1343.67614

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CO)(CO)CO.CC1=CC(=C(C=C1C(=O)O)C)OC(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C.CC1=CC(=C(C=C1C(=O)O)C)OC(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C.CC1=CC(=C(C=C1C(=O)O)C)OC(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCCC(CO)(CO)CO.CC1=CC(=C(C=C1C(=O)O)C)OC(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C.CC1=CC(=C(C=C1C(=O)O)C)OC(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C.CC1=CC(=C(C=C1C(=O)O)C)OC(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/3C24H30O5.C7H16O3/c3*1-13-10-19(14(2)9-16(13)21(26)27)29-22(28)15-11-17(23(3,4)5)20(25)18(12-15)24(6,7)8;1-2-3-7(4-8,5-9)6-10/h3*9-12,25H,1-8H3,(H,26,27);8-10H,2-6H2,1H3