4-hexylphenol; 2,3,6-trimethylphenol

Systemtic Name: 4-hexylphenol; 2,3,6-trimethylphenol Openeye Name: 4-hexylphenol; 2,3,6-trimethylphenol CAS Name: 4-hexylphenol; 2,3,6-trimethylphenol IUPAC Name: 4-hexylphenol; 2,3,6-trimethylphenol Traditional Name: 4-hexylphenol; 2,3,6-trimethylphenol Formula: C21H30O2 MolecularWeight: 314.4617

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)O.CC1=C(C(=C(C=C1)C)O)C

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)O.CC1=C(C(=C(C=C1)C)O)C

InChI

InChI=1S/C12H18O.C9H12O/c1-2-3-4-5-6-11-7-9-12(13)10-8-11;1-6-4-5-7(2)9(10)8(6)3/h7-10,13H,2-6H2,1H3;4-5,10H,1-3H3