2-[4-[4-(2-butan-2-yl-1-benzothiophen-3-yl)phenyl]phenoxy]-3-phenyl-propanoic acid

Systemtic Name: 2-[4-[4-(2-butan-2-yl-1-benzothiophen-3-yl)phenyl]phenoxy]-3-phenyl-propanoic acid Openeye Name: 3-phenyl-2-[4-[4-(2-sec-butylbenzothiophen-3-yl)phenyl]phenoxy]propanoic acid CAS Name: 2-[4-[4-(2-butan-2-yl-1-benzothiophen-3-yl)phenyl]phenoxy]-3-phenylpropanoic acid IUPAC Name: 2-[4-[4-(2-butan-2-yl-1-benzothiophen-3-yl)phenyl]phenoxy]-3-phenylpropanoic acid Traditional Name: 3-phenyl-2-[4-[4-(2-sec-butylbenzothiophen-3-yl)phenyl]phenoxy]propionic acid Formula: C33H30O3S MolecularWeight: 506.6545

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=C(C2=CC=CC=C2S1)C3=CC=C(C=C3)C4=CC=C(C=C4)OC(CC5=CC=CC=C5)C(=O)O

Isomeric SMILES

CCC(C)C1=C(C2=CC=CC=C2S1)C3=CC=C(C=C3)C4=CC=C(C=C4)OC(CC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C33H30O3S/c1-3-22(2)32-31(28-11-7-8-12-30(28)37-32)26-15-13-24(14-16-26)25-17-19-27(20-18-25)36-29(33(34)35)21-23-9-5-4-6-10-23/h4-20,22,29H,3,21H2,1-2H3,(H,34,35)