2-[7-(4-hexylphenyl)carbonyl-1-benzothiophen-5-yl]ethanoic acid

Systemtic Name: 2-[7-(4-hexylphenyl)carbonyl-1-benzothiophen-5-yl]ethanoic acid Openeye Name: 2-[7-(4-hexylbenzoyl)benzothiophen-5-yl]acetic acid CAS Name: 2-[7-[(4-hexylphenyl)-oxomethyl]-1-benzothiophen-5-yl]acetic acid IUPAC Name: 2-[7-(4-hexylbenzoyl)-1-benzothiophen-5-yl]acetic acid Traditional Name: 2-[7-(4-hexylbenzoyl)benzothiophen-5-yl]acetic acid Formula: C23H24O3S MolecularWeight: 380.49986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)C2=C3C(=CC(=C2)CC(=O)O)C=CS3

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)C2=C3C(=CC(=C2)CC(=O)O)C=CS3

InChI

InChI=1S/C23H24O3S/c1-2-3-4-5-6-16-7-9-18(10-8-16)22(26)20-14-17(15-21(24)25)13-19-11-12-27-23(19)20/h7-14H,2-6,15H2,1H3,(H,24,25)