2-[4-[4-[2-(phenylmethyl)-1-benzothiophen-3-yl]phenyl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-[4-[2-(phenylmethyl)-1-benzothiophen-3-yl]phenyl]phenoxy]ethanoic acid Openeye Name: 2-[4-[4-(2-benzylbenzothiophen-3-yl)phenyl]phenoxy]acetic acid CAS Name: 2-[4-[4-[2-(phenylmethyl)-1-benzothiophen-3-yl]phenyl]phenoxy]acetic acid IUPAC Name: 2-[4-[4-(2-benzyl-1-benzothiophen-3-yl)phenyl]phenoxy]acetic acid Traditional Name: 2-[4-[4-(2-benzylbenzothiophen-3-yl)phenyl]phenoxy]acetic acid Formula: C29H22O3S MolecularWeight: 450.54818

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C3=CC=CC=C3S2)C4=CC=C(C=C4)C5=CC=C(C=C5)OCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C3=CC=CC=C3S2)C4=CC=C(C=C4)C5=CC=C(C=C5)OCC(=O)O

InChI

InChI=1S/C29H22O3S/c30-28(31)19-32-24-16-14-22(15-17-24)21-10-12-23(13-11-21)29-25-8-4-5-9-26(25)33-27(29)18-20-6-2-1-3-7-20/h1-17H,18-19H2,(H,30,31)