4-tert-butylphenol; methanal; 4-nonylphenol

Systemtic Name: 4-tert-butylphenol; methanal; 4-nonylphenol Openeye Name: 4-tert-butylphenol; formaldehyde; 4-nonylphenol CAS Name: 4-tert-butylphenol; formaldehyde; 4-nonylphenol IUPAC Name: 4-tert-butylphenol; formaldehyde; 4-nonylphenol Traditional Name: 4-tert-butylphenol; formaldehyde; 4-nonylphenol Formula: C26H40O3 MolecularWeight: 400.594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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