2-[4-[(E)-2-(4-chlorophenyl)ethenyl]-2-pentyl-phenyl]-5,7-dihexyl-1-benzothiophene

Systemtic Name: 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]-2-pentyl-phenyl]-5,7-dihexyl-1-benzothiophene Openeye Name: 2-[4-[(E)-2-(4-chlorophenyl)vinyl]-2-pentyl-phenyl]-5,7-dihexyl-benzothiophene CAS Name: 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]-2-pentylphenyl]-5,7-dihexyl-1-benzothiophene IUPAC Name: 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]-2-pentylphenyl]-5,7-dihexyl-1-benzothiophene Traditional Name: 2-[2-amyl-4-[(E)-2-(4-chlorophenyl)vinyl]phenyl]-5,7-dihexyl-benzothiophene Formula: C39H49ClS MolecularWeight: 585.32436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=C2C(=C1)C=C(S2)C3=C(C=C(C=C3)C=CC4=CC=C(C=C4)Cl)CCCCC)CCCCCC

Isomeric SMILES

CCCCCCC1=CC(=C2C(=C1)C=C(S2)C3=C(C=C(C=C3)/C=C/C4=CC=C(C=C4)Cl)CCCCC)CCCCCC

InChI

InChI=1S/C39H49ClS/c1-4-7-10-13-15-32-27-34(17-14-11-8-5-2)39-35(28-32)29-38(41-39)37-25-22-31(26-33(37)16-12-9-6-3)19-18-30-20-23-36(40)24-21-30/h18-29H,4-17H2,1-3H3/b19-18+