2-[7-(2,4,6-trimethylphenyl)carbonyl-1-benzothiophen-5-yl]ethanoic acid

Systemtic Name: 2-[7-(2,4,6-trimethylphenyl)carbonyl-1-benzothiophen-5-yl]ethanoic acid Openeye Name: 2-[7-(2,4,6-trimethylbenzoyl)benzothiophen-5-yl]acetic acid CAS Name: 2-[7-[oxo-(2,4,6-trimethylphenyl)methyl]-1-benzothiophen-5-yl]acetic acid IUPAC Name: 2-[7-(2,4,6-trimethylbenzoyl)-1-benzothiophen-5-yl]acetic acid Traditional Name: 2-[7-(2,4,6-trimethylbenzoyl)benzothiophen-5-yl]acetic acid Formula: C20H18O3S MolecularWeight: 338.42012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)C2=C3C(=CC(=C2)CC(=O)O)C=CS3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)C2=C3C(=CC(=C2)CC(=O)O)C=CS3)C

InChI

InChI=1S/C20H18O3S/c1-11-6-12(2)18(13(3)7-11)19(23)16-9-14(10-17(21)22)8-15-4-5-24-20(15)16/h4-9H,10H2,1-3H3,(H,21,22)