3-[3,5-bis(2-methylbutan-2-yl)-2-(3-methylbutoxy)phenyl]-1-benzothiophene

Systemtic Name: 3-[3,5-bis(2-methylbutan-2-yl)-2-(3-methylbutoxy)phenyl]-1-benzothiophene Openeye Name: 3-[3,5-bis(1,1-dimethylpropyl)-2-isopentyloxy-phenyl]benzothiophene CAS Name: 3-[3,5-bis(2-methylbutan-2-yl)-2-(3-methylbutoxy)phenyl]-1-benzothiophene IUPAC Name: 3-[3,5-bis(2-methylbutan-2-yl)-2-(3-methylbutoxy)phenyl]-1-benzothiophene Traditional Name: 3-(3,5-ditert-amyl-2-isoamoxy-phenyl)benzothiophene Formula: C29H40OS MolecularWeight: 436.6923

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C(=C1)C2=CSC3=CC=CC=C32)OCCC(C)C)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C(=C1)C2=CSC3=CC=CC=C32)OCCC(C)C)C(C)(C)CC

InChI

InChI=1S/C29H40OS/c1-9-28(5,6)21-17-23(24-19-31-26-14-12-11-13-22(24)26)27(30-16-15-20(3)4)25(18-21)29(7,8)10-2/h11-14,17-20H,9-10,15-16H2,1-8H3