8-phenyl-2-thiophen-2-yl-octanoic acid

Systemtic Name: 8-phenyl-2-thiophen-2-yl-octanoic acid Openeye Name: 8-phenyl-2-(2-thienyl)octanoic acid CAS Name: 8-phenyl-2-thiophen-2-yloctanoic acid IUPAC Name: 8-phenyl-2-thiophen-2-yloctanoic acid Traditional Name: 8-phenyl-2-(2-thienyl)caprylic acid Formula: C18H22O2S MolecularWeight: 302.43108

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCC(C2=CC=CS2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCC(C2=CC=CS2)C(=O)O

InChI

InChI=1S/C18H22O2S/c19-18(20)16(17-13-8-14-21-17)12-7-2-1-4-9-15-10-5-3-6-11-15/h3,5-6,8,10-11,13-14,16H,1-2,4,7,9,12H2,(H,19,20)