4-tert-butylphenol; methanal; 4-(2-methylbutan-2-yl)phenol; 4-nonylphenol; oxirane

Systemtic Name: 4-tert-butylphenol; methanal; 4-(2-methylbutan-2-yl)phenol; 4-nonylphenol; oxirane Openeye Name: 4-tert-butylphenol; 4-(1,1-dimethylpropyl)phenol; formaldehyde; 4-nonylphenol; oxirane CAS Name: 4-tert-butylphenol; formaldehyde; 4-(2-methylbutan-2-yl)phenol; 4-nonylphenol; oxirane IUPAC Name: 4-tert-butylphenol; formaldehyde; 4-(2-methylbutan-2-yl)phenol; 4-nonylphenol; oxirane Traditional Name: 4-tert-amylphenol; 4-tert-butylphenol; ethylene oxide; formaldehyde; 4-nonylphenol Formula: C39H60O5 MolecularWeight: 608.8907

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)O.CCC(C)(C)C1=CC=C(C=C1)O.CC(C)(C)C1=CC=C(C=C1)O.C=O.C1CO1

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)O.CCC(C)(C)C1=CC=C(C=C1)O.CC(C)(C)C1=CC=C(C=C1)O.C=O.C1CO1

InChI

InChI=1S/C15H24O.C11H16O.C10H14O.C2H4O.CH2O/c1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14;1-4-11(2,3)9-5-7-10(12)8-6-9;1-10(2,3)8-4-6-9(11)7-5-8;1-2-3-1;1-2/h10-13,16H,2-9H2,1H3;5-8,12H,4H2,1-3H3;4-7,11H,1-3H3;1-2H2;1H2