2-[3,5-bis(2-methylheptan-2-yl)-4-oxidanyl-phenyl]butane-1,4-diol

Systemtic Name: 2-[3,5-bis(2-methylheptan-2-yl)-4-oxidanyl-phenyl]butane-1,4-diol Openeye Name: 2-[3,5-bis(1,1-dimethylhexyl)-4-hydroxy-phenyl]butane-1,4-diol CAS Name: 2-[4-hydroxy-3,5-bis(2-methylheptan-2-yl)phenyl]butane-1,4-diol IUPAC Name: 2-[4-hydroxy-3,5-bis(2-methylheptan-2-yl)phenyl]butane-1,4-diol Traditional Name: 2-[3,5-bis(1,1-dimethylhexyl)-4-hydroxy-phenyl]butane-1,4-diol Formula: C26H46O3 MolecularWeight: 406.64164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C)C1=CC(=CC(=C1O)C(C)(C)CCCCC)C(CCO)CO

Isomeric SMILES

CCCCCC(C)(C)C1=CC(=CC(=C1O)C(C)(C)CCCCC)C(CCO)CO

InChI

InChI=1S/C26H46O3/c1-7-9-11-14-25(3,4)22-17-21(20(19-28)13-16-27)18-23(24(22)29)26(5,6)15-12-10-8-2/h17-18,20,27-29H,7-16,19H2,1-6H3