2-[2-ethylhexoxy-(2-nonylphenyl)methyl]-2-(hydroxymethyl)propane-1,3-diol

Systemtic Name: 2-[2-ethylhexoxy-(2-nonylphenyl)methyl]-2-(hydroxymethyl)propane-1,3-diol Openeye Name: 2-[2-ethylhexoxy-(2-nonylphenyl)methyl]-2-(hydroxymethyl)propane-1,3-diol CAS Name: 2-[2-ethylhexoxy-(2-nonylphenyl)methyl]-2-(hydroxymethyl)propane-1,3-diol IUPAC Name: 2-[2-ethylhexoxy-(2-nonylphenyl)methyl]-2-(hydroxymethyl)propane-1,3-diol Traditional Name: 2-[2-ethylhexoxy-(2-nonylphenyl)methyl]-2-methylol-propane-1,3-diol Formula: C28H50O4 MolecularWeight: 450.6942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=CC=C1C(C(CO)(CO)CO)OCC(CC)CCCC

Isomeric SMILES

CCCCCCCCCC1=CC=CC=C1C(C(CO)(CO)CO)OCC(CC)CCCC

InChI

InChI=1S/C28H50O4/c1-4-7-9-10-11-12-13-17-25-18-14-15-19-26(25)27(28(21-29,22-30)23-31)32-20-24(6-3)16-8-5-2/h14-15,18-19,24,27,29-31H,4-13,16-17,20-23H2,1-3H3