2-(hydroxymethyl)-2-(9-octoxyheptadecan-9-yl)undecane-1,3-diol

Systemtic Name: 2-(hydroxymethyl)-2-(9-octoxyheptadecan-9-yl)undecane-1,3-diol Openeye Name: 2-(hydroxymethyl)-2-(1-octoxy-1-octyl-nonyl)undecane-1,3-diol CAS Name: 2-(hydroxymethyl)-2-(9-octoxyheptadecan-9-yl)undecane-1,3-diol IUPAC Name: 2-(hydroxymethyl)-2-(9-octoxyheptadecan-9-yl)undecane-1,3-diol Traditional Name: 2-methylol-2-(1-octoxy-1-octyl-nonyl)undecane-1,3-diol Formula: C37H76O4 MolecularWeight: 584.99694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(CO)(CO)C(CCCCCCCC)(CCCCCCCC)OCCCCCCCC)O

Isomeric SMILES

CCCCCCCCC(C(CO)(CO)C(CCCCCCCC)(CCCCCCCC)OCCCCCCCC)O

InChI

InChI=1S/C37H76O4/c1-5-9-13-17-21-25-29-35(40)36(33-38,34-39)37(30-26-22-18-14-10-6-2,31-27-23-19-15-11-7-3)41-32-28-24-20-16-12-8-4/h35,38-40H,5-34H2,1-4H3