4-tert-butylphenol; methanal; 4-octylphenol

Systemtic Name: 4-tert-butylphenol; methanal; 4-octylphenol Openeye Name: 4-tert-butylphenol; formaldehyde; 4-octylphenol CAS Name: 4-tert-butylphenol; formaldehyde; 4-octylphenol IUPAC Name: 4-tert-butylphenol; formaldehyde; 4-octylphenol Traditional Name: 4-tert-butylphenol; formaldehyde; 4-octylphenol Formula: C25H38O3 MolecularWeight: 386.56742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)O.CC(C)(C)C1=CC=C(C=C1)O.C=O

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)O.CC(C)(C)C1=CC=C(C=C1)O.C=O

InChI

InChI=1S/C14H22O.C10H14O.CH2O/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13;1-10(2,3)8-4-6-9(11)7-5-8;1-2/h9-12,15H,2-8H2,1H3;4-7,11H,1-3H3;1H2