ethane-1,2-diol; 1-nonyl-2-(2-nonylphenoxy)benzene; phosphate

Systemtic Name: ethane-1,2-diol; 1-nonyl-2-(2-nonylphenoxy)benzene; phosphate Openeye Name: ethylene glycol; 1-nonyl-2-(2-nonylphenoxy)benzene; phosphate CAS Name: ethane-1,2-diol; 1-nonyl-2-(2-nonylphenoxy)benzene; phosphate IUPAC Name: ethane-1,2-diol; 1-nonyl-2-(2-nonylphenoxy)benzene; phosphate Traditional Name: ethylene glycol; 1-nonyl-2-(2-nonylphenoxy)benzene; phosphate Formula: C32H52O7P-3 MolecularWeight: 579.724841

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=CC=C1OC2=CC=CC=C2CCCCCCCCC.C(CO)O.[O-]P(=O)([O-])[O-]

Isomeric SMILES

CCCCCCCCCC1=CC=CC=C1OC2=CC=CC=C2CCCCCCCCC.C(CO)O.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C30H46O.C2H6O2.H3O4P/c1-3-5-7-9-11-13-15-21-27-23-17-19-25-29(27)31-30-26-20-18-24-28(30)22-16-14-12-10-8-6-4-2;3-1-2-4;1-5(2,3)4/h17-20,23-26H,3-16,21-22H2,1-2H3;3-4H,1-2H2;(H3,1,2,3,4)/p-3