3-[3-(4-bromanylbutyl)phenyl]-6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene

Systemtic Name: 3-[3-(4-bromanylbutyl)phenyl]-6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene Openeye Name: 3-[3-(4-bromobutyl)phenyl]-6-methoxy-2-(4-methoxyphenyl)benzothiophene CAS Name: 3-[3-(4-bromobutyl)phenyl]-6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene IUPAC Name: 3-[3-(4-bromobutyl)phenyl]-6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene Traditional Name: 3-[3-(4-bromobutyl)phenyl]-6-methoxy-2-(4-methoxyphenyl)benzothiophene Formula: C26H25BrO2S MolecularWeight: 481.4445

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)OC)C4=CC(=CC=C4)CCCCBr

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)OC)C4=CC(=CC=C4)CCCCBr

InChI

InChI=1S/C26H25BrO2S/c1-28-21-11-9-19(10-12-21)26-25(23-14-13-22(29-2)17-24(23)30-26)20-8-5-7-18(16-20)6-3-4-15-27/h5,7-14,16-17H,3-4,6,15H2,1-2H3