2,2,6,6-tetrakis(hydroxymethyl)-1-(4-nonylphenoxy)-7-oxidanyl-heptan-4-one

Systemtic Name: 2,2,6,6-tetrakis(hydroxymethyl)-1-(4-nonylphenoxy)-7-oxidanyl-heptan-4-one Openeye Name: 1-hydroxy-2,2,6,6-tetrakis(hydroxymethyl)-7-(4-nonylphenoxy)heptan-4-one CAS Name: 1-hydroxy-2,2,6,6-tetrakis(hydroxymethyl)-7-(4-nonylphenoxy)-4-heptanone IUPAC Name: 1-hydroxy-2,2,6,6-tetrakis(hydroxymethyl)-7-(4-nonylphenoxy)heptan-4-one Traditional Name: 1-hydroxy-2,2,6,6-tetramethylol-7-(4-nonylphenoxy)heptan-4-one Formula: C26H44O7 MolecularWeight: 468.62336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)OCC(CC(=O)CC(CO)(CO)CO)(CO)CO

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)OCC(CC(=O)CC(CO)(CO)CO)(CO)CO

InChI

InChI=1S/C26H44O7/c1-2-3-4-5-6-7-8-9-22-10-12-24(13-11-22)33-21-26(19-30,20-31)15-23(32)14-25(16-27,17-28)18-29/h10-13,27-31H,2-9,14-21H2,1H3