2,2-bis[[3,5-bis(2-methylpentan-2-yl)-4-oxidanyl-phenyl]methyl]propane-1,3-diol

Systemtic Name: 2,2-bis[[3,5-bis(2-methylpentan-2-yl)-4-oxidanyl-phenyl]methyl]propane-1,3-diol Openeye Name: 2,2-bis[[3,5-bis(1,1-dimethylbutyl)-4-hydroxy-phenyl]methyl]propane-1,3-diol CAS Name: 2,2-bis[[4-hydroxy-3,5-bis(2-methylpentan-2-yl)phenyl]methyl]propane-1,3-diol IUPAC Name: 2,2-bis[[4-hydroxy-3,5-bis(2-methylpentan-2-yl)phenyl]methyl]propane-1,3-diol Traditional Name: 2,2-bis[3,5-bis(1,1-dimethylbutyl)-4-hydroxy-benzyl]propane-1,3-diol Formula: C41H68O4 MolecularWeight: 624.97622

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C)C1=CC(=CC(=C1O)C(C)(C)CCC)CC(CC2=CC(=C(C(=C2)C(C)(C)CCC)O)C(C)(C)CCC)(CO)CO

Isomeric SMILES

CCCC(C)(C)C1=CC(=CC(=C1O)C(C)(C)CCC)CC(CC2=CC(=C(C(=C2)C(C)(C)CCC)O)C(C)(C)CCC)(CO)CO

InChI

InChI=1S/C41H68O4/c1-13-17-37(5,6)31-21-29(22-32(35(31)44)38(7,8)18-14-2)25-41(27-42,28-43)26-30-23-33(39(9,10)19-15-3)36(45)34(24-30)40(11,12)20-16-4/h21-24,42-45H,13-20,25-28H2,1-12H3