2-butylphenol; methanal; phenol

Systemtic Name: 2-butylphenol; methanal; phenol Openeye Name: 2-butylphenol; formaldehyde; phenol CAS Name: 2-butylphenol; formaldehyde; phenol IUPAC Name: 2-butylphenol; formaldehyde; phenol Traditional Name: 2-butylphenol; formaldehyde; phenol Formula: C17H22O3 MolecularWeight: 274.35478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC=C1O.C=O.C1=CC=C(C=C1)O

Isomeric SMILES

CCCCC1=CC=CC=C1O.C=O.C1=CC=C(C=C1)O

InChI

InChI=1S/C10H14O.C6H6O.CH2O/c1-2-3-6-9-7-4-5-8-10(9)11;7-6-4-2-1-3-5-6;1-2/h4-5,7-8,11H,2-3,6H2,1H3;1-5,7H;1H2