4-nonylphenol; 4-(2,4,4-trimethylpentan-2-yl)phenol

Systemtic Name: 4-nonylphenol; 4-(2,4,4-trimethylpentan-2-yl)phenol Openeye Name: 4-nonylphenol; 4-(1,1,3,3-tetramethylbutyl)phenol CAS Name: 4-nonylphenol; 4-(2,4,4-trimethylpentan-2-yl)phenol IUPAC Name: 4-nonylphenol; 4-(2,4,4-trimethylpentan-2-yl)phenol Traditional Name: 4-nonylphenol; 4-(1,1,3,3-tetramethylbutyl)phenol Formula: C29H46O2 MolecularWeight: 426.67434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24O.C14H22O/c1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14;1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11/h10-13,16H,2-9H2,1H3;6-9,15H,10H2,1-5H3