6-(hydroxymethyl)-1-[2-(hydroxymethyl)-4-nonyl-phenoxy]-2,7-bis(oxidanyl)heptan-4-one

Systemtic Name: 6-(hydroxymethyl)-1-[2-(hydroxymethyl)-4-nonyl-phenoxy]-2,7-bis(oxidanyl)heptan-4-one Openeye Name: 1,6-dihydroxy-2-(hydroxymethyl)-7-[2-(hydroxymethyl)-4-nonyl-phenoxy]heptan-4-one CAS Name: 1,6-dihydroxy-2-(hydroxymethyl)-7-[2-(hydroxymethyl)-4-nonylphenoxy]-4-heptanone IUPAC Name: 1,6-dihydroxy-2-(hydroxymethyl)-7-[2-(hydroxymethyl)-4-nonylphenoxy]heptan-4-one Traditional Name: 1,6-dihydroxy-2-methylol-7-(2-methylol-4-nonyl-phenoxy)heptan-4-one Formula: C24H40O6 MolecularWeight: 424.5708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H40O6/c1-2-3-4-5-6-7-8-9-19-10-11-24(21(12-19)17-27)30-18-23(29)14-22(28)13-20(15-25)16-26/h10-12,20,23,25-27,29H,2-9,13-18H2,1H3