(E)-2-[4-(5-chloranyl-1-benzothiophen-2-yl)phenoxy]-6-phenyl-hex-5-enoic acid

Systemtic Name: (E)-2-[4-(5-chloranyl-1-benzothiophen-2-yl)phenoxy]-6-phenyl-hex-5-enoic acid Openeye Name: (E)-2-[4-(5-chlorobenzothiophen-2-yl)phenoxy]-6-phenyl-hex-5-enoic acid CAS Name: (E)-2-[4-(5-chloro-1-benzothiophen-2-yl)phenoxy]-6-phenyl-5-hexenoic acid IUPAC Name: (E)-2-[4-(5-chloro-1-benzothiophen-2-yl)phenoxy]-6-phenylhex-5-enoic acid Traditional Name: (E)-2-[4-(5-chlorobenzothiophen-2-yl)phenoxy]-6-phenyl-hex-5-enoic acid Formula: C26H21ClO3S MolecularWeight: 448.96114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CCCC(C(=O)O)OC2=CC=C(C=C2)C3=CC4=C(S3)C=CC(=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)/C=C/CCC(C(=O)O)OC2=CC=C(C=C2)C3=CC4=C(S3)C=CC(=C4)Cl

InChI

InChI=1S/C26H21ClO3S/c27-21-12-15-24-20(16-21)17-25(31-24)19-10-13-22(14-11-19)30-23(26(28)29)9-5-4-8-18-6-2-1-3-7-18/h1-4,6-8,10-17,23H,5,9H2,(H,28,29)/b8-4+