3-(4-chloranylphenoxy)-5,6-bis[(2-phenylphenyl)methoxy]-1-benzothiophene

Systemtic Name: 3-(4-chloranylphenoxy)-5,6-bis[(2-phenylphenyl)methoxy]-1-benzothiophene Openeye Name: 3-(4-chlorophenoxy)-5,6-bis[(2-phenylphenyl)methoxy]benzothiophene CAS Name: 3-(4-chlorophenoxy)-5,6-bis[(2-phenylphenyl)methoxy]-1-benzothiophene IUPAC Name: 3-(4-chlorophenoxy)-5,6-bis[(2-phenylphenyl)methoxy]-1-benzothiophene Traditional Name: 3-(4-chlorophenoxy)-5,6-bis[(2-phenylbenzyl)oxy]benzothiophene Formula: C40H29ClO3S MolecularWeight: 625.17446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=CC=C2COC3=C(C=C4C(=C3)C(=CS4)OC5=CC=C(C=C5)Cl)OCC6=CC=CC=C6C7=CC=CC=C7

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=CC=C2COC3=C(C=C4C(=C3)C(=CS4)OC5=CC=C(C=C5)Cl)OCC6=CC=CC=C6C7=CC=CC=C7

InChI

InChI=1S/C40H29ClO3S/c41-32-19-21-33(22-20-32)44-39-27-45-40-24-38(43-26-31-16-8-10-18-35(31)29-13-5-2-6-14-29)37(23-36(39)40)42-25-30-15-7-9-17-34(30)28-11-3-1-4-12-28/h1-24,27H,25-26H2