4-[3,3-bis(4-chlorophenyl)-3-oxidanyl-prop-1-ynyl]-2,6-ditert-butyl-cyclohexa-2,5-dien-1-ol

Systemtic Name: 4-[3,3-bis(4-chlorophenyl)-3-oxidanyl-prop-1-ynyl]-2,6-ditert-butyl-cyclohexa-2,5-dien-1-ol Openeye Name: 4-[3,3-bis(4-chlorophenyl)-3-hydroxy-prop-1-ynyl]-2,6-ditert-butyl-cyclohexa-2,5-dien-1-ol CAS Name: 4-[3,3-bis(4-chlorophenyl)-3-hydroxyprop-1-ynyl]-2,6-ditert-butyl-1-cyclohexa-2,5-dienol IUPAC Name: 4-[3,3-bis(4-chlorophenyl)-3-hydroxyprop-1-ynyl]-2,6-ditert-butylcyclohexa-2,5-dien-1-ol Traditional Name: 4-[3,3-bis(4-chlorophenyl)-3-hydroxy-prop-1-ynyl]-2,6-ditert-butyl-cyclohexa-2,5-dien-1-ol Formula: C29H32Cl2O2 MolecularWeight: 483.46918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(C=C(C1O)C(C)(C)C)C#CC(C2=CC=C(C=C2)Cl)(C3=CC=C(C=C3)Cl)O

Isomeric SMILES

CC(C)(C)C1=CC(C=C(C1O)C(C)(C)C)C#CC(C2=CC=C(C=C2)Cl)(C3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C29H32Cl2O2/c1-27(2,3)24-17-19(18-25(26(24)32)28(4,5)6)15-16-29(33,20-7-11-22(30)12-8-20)21-9-13-23(31)14-10-21/h7-14,17-19,26,32-33H,1-6H3