5-hexoxy-2-(4-methyl-3-pentyl-phenyl)-1-benzothiophene

Systemtic Name: 5-hexoxy-2-(4-methyl-3-pentyl-phenyl)-1-benzothiophene Openeye Name: 5-hexoxy-2-(4-methyl-3-pentyl-phenyl)benzothiophene CAS Name: 5-hexoxy-2-(4-methyl-3-pentylphenyl)-1-benzothiophene IUPAC Name: 5-hexoxy-2-(4-methyl-3-pentylphenyl)-1-benzothiophene Traditional Name: 2-(3-amyl-4-methyl-phenyl)-5-hexoxy-benzothiophene Formula: C26H34OS MolecularWeight: 394.61256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC2=C(C=C1)SC(=C2)C3=CC(=C(C=C3)C)CCCCC

Isomeric SMILES

CCCCCCOC1=CC2=C(C=C1)SC(=C2)C3=CC(=C(C=C3)C)CCCCC

InChI

InChI=1S/C26H34OS/c1-4-6-8-10-16-27-24-14-15-25-23(18-24)19-26(28-25)22-13-12-20(3)21(17-22)11-9-7-5-2/h12-15,17-19H,4-11,16H2,1-3H3