2-ethyl-2-methyl-hexane-1,1-diol; 2,4,6-tritert-butylphenol

Systemtic Name: 2-ethyl-2-methyl-hexane-1,1-diol; 2,4,6-tritert-butylphenol Openeye Name: 2-ethyl-2-methyl-hexane-1,1-diol; 2,4,6-tritert-butylphenol CAS Name: 2-ethyl-2-methylhexane-1,1-diol; 2,4,6-tritert-butylphenol IUPAC Name: 2-ethyl-2-methylhexane-1,1-diol; 2,4,6-tritert-butylphenol Traditional Name: 2-ethyl-2-methyl-hexane-1,1-diol; 2,4,6-tritert-butylphenol Formula: C27H50O3 MolecularWeight: 422.6841

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(CC)C(O)O.CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCCCC(C)(CC)C(O)O.CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C18H30O.C9H20O2/c1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9;1-4-6-7-9(3,5-2)8(10)11/h10-11,19H,1-9H3;8,10-11H,4-7H2,1-3H3