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

Systemtic Name: 2-(hydroxymethyl)-2-methyl-7-(4-nonylphenoxy)-1,6-bis(oxidanyl)heptan-4-one Openeye Name: 1,6-dihydroxy-2-(hydroxymethyl)-2-methyl-7-(4-nonylphenoxy)heptan-4-one CAS Name: 1,6-dihydroxy-2-(hydroxymethyl)-2-methyl-7-(4-nonylphenoxy)-4-heptanone IUPAC Name: 1,6-dihydroxy-2-(hydroxymethyl)-2-methyl-7-(4-nonylphenoxy)heptan-4-one Traditional Name: 1,6-dihydroxy-2-methyl-2-methylol-7-(4-nonylphenoxy)heptan-4-one Formula: C24H40O5 MolecularWeight: 408.5714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H40O5/c1-3-4-5-6-7-8-9-10-20-11-13-23(14-12-20)29-17-22(28)15-21(27)16-24(2,18-25)19-26/h11-14,22,25-26,28H,3-10,15-19H2,1-2H3