[3-[[3-(6-ethyl-2-methyl-6-oxidanyl-octan-2-yl)phenoxy]methyl]phenyl]methanediol

Systemtic Name: [3-[[3-(6-ethyl-2-methyl-6-oxidanyl-octan-2-yl)phenoxy]methyl]phenyl]methanediol Openeye Name: [3-[[3-(5-ethyl-5-hydroxy-1,1-dimethyl-heptyl)phenoxy]methyl]phenyl]methanediol CAS Name: [3-[[3-(6-ethyl-6-hydroxy-2-methyloctan-2-yl)phenoxy]methyl]phenyl]methanediol IUPAC Name: [3-[[3-(6-ethyl-6-hydroxy-2-methyloctan-2-yl)phenoxy]methyl]phenyl]methanediol Traditional Name: [3-[[3-(5-ethyl-5-hydroxy-1,1-dimethyl-heptyl)phenoxy]methyl]phenyl]methanediol Formula: C25H36O4 MolecularWeight: 400.55094

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CCCC(C)(C)C1=CC(=CC=C1)OCC2=CC(=CC=C2)C(O)O)O

Isomeric SMILES

CCC(CC)(CCCC(C)(C)C1=CC(=CC=C1)OCC2=CC(=CC=C2)C(O)O)O

InChI

InChI=1S/C25H36O4/c1-5-25(28,6-2)15-9-14-24(3,4)21-12-8-13-22(17-21)29-18-19-10-7-11-20(16-19)23(26)27/h7-8,10-13,16-17,23,26-28H,5-6,9,14-15,18H2,1-4H3