2,3-di(nonyl)phenol; methanal; 2-nonylphenol; oxirane

Systemtic Name: 2,3-di(nonyl)phenol; methanal; 2-nonylphenol; oxirane Openeye Name: 2,3-di(nonyl)phenol; formaldehyde; 2-nonylphenol; oxirane CAS Name: 2,3-di(nonyl)phenol; formaldehyde; 2-nonylphenol; oxirane IUPAC Name: 2,3-di(nonyl)phenol; formaldehyde; 2-nonylphenol; oxirane Traditional Name: 2,3-di(nonyl)phenol; ethylene oxide; formaldehyde; 2-nonylphenol Formula: C42H72O4 MolecularWeight: 641.01868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=C(C(=CC=C1)O)CCCCCCCCC.CCCCCCCCCC1=CC=CC=C1O.C=O.C1CO1

Isomeric SMILES

CCCCCCCCCC1=C(C(=CC=C1)O)CCCCCCCCC.CCCCCCCCCC1=CC=CC=C1O.C=O.C1CO1

InChI

InChI=1S/C24H42O.C15H24O.C2H4O.CH2O/c1-3-5-7-9-11-13-15-18-22-19-17-21-24(25)23(22)20-16-14-12-10-8-6-4-2;1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16;1-2-3-1;1-2/h17,19,21,25H,3-16,18,20H2,1-2H3;9-10,12-13,16H,2-8,11H2,1H3;1-2H2;1H2