5-(hydroxymethyl)-3-(6-methyl-6-oxidanyl-heptan-2-yl)-2-(phenoxymethyl)phenol

Systemtic Name: 5-(hydroxymethyl)-3-(6-methyl-6-oxidanyl-heptan-2-yl)-2-(phenoxymethyl)phenol Openeye Name: 3-(5-hydroxy-1,5-dimethyl-hexyl)-5-(hydroxymethyl)-2-(phenoxymethyl)phenol CAS Name: 5-(hydroxymethyl)-3-(6-hydroxy-6-methylheptan-2-yl)-2-(phenoxymethyl)phenol IUPAC Name: 5-(hydroxymethyl)-3-(6-hydroxy-6-methylheptan-2-yl)-2-(phenoxymethyl)phenol Traditional Name: 3-(5-hydroxy-1,5-dimethyl-hexyl)-5-methylol-2-(phenoxymethyl)phenol Formula: C22H30O4 MolecularWeight: 358.4712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(C)(C)O)C1=C(C(=CC(=C1)CO)O)COC2=CC=CC=C2

Isomeric SMILES

CC(CCCC(C)(C)O)C1=C(C(=CC(=C1)CO)O)COC2=CC=CC=C2

InChI

InChI=1S/C22H30O4/c1-16(8-7-11-22(2,3)25)19-12-17(14-23)13-21(24)20(19)15-26-18-9-5-4-6-10-18/h4-6,9-10,12-13,16,23-25H,7-8,11,14-15H2,1-3H3