4-tert-butylbenzene-1,2-diol; 4-tert-butylphenol; methanal; 4-phenylphenol

Systemtic Name: 4-tert-butylbenzene-1,2-diol; 4-tert-butylphenol; methanal; 4-phenylphenol Openeye Name: 4-tert-butylbenzene-1,2-diol; 4-tert-butylphenol; formaldehyde; 4-phenylphenol CAS Name: 4-tert-butylbenzene-1,2-diol; 4-tert-butylphenol; formaldehyde; 4-phenylphenol IUPAC Name: 4-tert-butylbenzene-1,2-diol; 4-tert-butylphenol; formaldehyde; 4-phenylphenol Traditional Name: 4-tert-butylphenol; 4-tert-butylpyrocatechol; formaldehyde; 4-phenylphenol Formula: C33H40O5 MolecularWeight: 516.6677

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)O.CC(C)(C)C1=CC(=C(C=C1)O)O.C=O.C1=CC=C(C=C1)C2=CC=C(C=C2)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)O.CC(C)(C)C1=CC(=C(C=C1)O)O.C=O.C1=CC=C(C=C1)C2=CC=C(C=C2)O

InChI

InChI=1S/C12H10O.C10H14O2.C10H14O.CH2O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;1-10(2,3)7-4-5-8(11)9(12)6-7;1-10(2,3)8-4-6-9(11)7-5-8;1-2/h1-9,13H;4-6,11-12H,1-3H3;4-7,11H,1-3H3;1H2