2,5-di(nonyl)phenol; 4-nonylphenol; phosphoric acid

Systemtic Name: 2,5-di(nonyl)phenol; 4-nonylphenol; phosphoric acid Openeye Name: 2,5-di(nonyl)phenol; 4-nonylphenol; phosphoric acid CAS Name: 2,5-di(nonyl)phenol; 4-nonylphenol; phosphoric acid IUPAC Name: 2,5-di(nonyl)phenol; 4-nonylphenol; phosphoric acid Traditional Name: 2,5-di(nonyl)phenol; 4-nonylphenol; phosphoric acid Formula: C39H69O6P MolecularWeight: 664.935321

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H42O.C15H24O.H3O4P/c1-3-5-7-9-11-13-15-17-22-19-20-23(24(25)21-22)18-16-14-12-10-8-6-4-2;1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14;1-5(2,3)4/h19-21,25H,3-18H2,1-2H3;10-13,16H,2-9H2,1H3;(H3,1,2,3,4)