2-[7-(4-hexoxyphenyl)carbonyl-2,3-dihydro-1-benzothiophen-5-yl]ethanoic acid

Systemtic Name: 2-[7-(4-hexoxyphenyl)carbonyl-2,3-dihydro-1-benzothiophen-5-yl]ethanoic acid Openeye Name: 2-[7-(4-hexoxybenzoyl)-2,3-dihydrobenzothiophen-5-yl]acetic acid CAS Name: 2-[7-[(4-hexoxyphenyl)-oxomethyl]-2,3-dihydro-1-benzothiophen-5-yl]acetic acid IUPAC Name: 2-[7-(4-hexoxybenzoyl)-2,3-dihydro-1-benzothiophen-5-yl]acetic acid Traditional Name: 2-[7-(4-hexoxybenzoyl)-2,3-dihydrobenzothiophen-5-yl]acetic acid Formula: C23H26O4S MolecularWeight: 398.51514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)C2=CC(=CC3=C2SCC3)CC(=O)O

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)C2=CC(=CC3=C2SCC3)CC(=O)O

InChI

InChI=1S/C23H26O4S/c1-2-3-4-5-11-27-19-8-6-17(7-9-19)22(26)20-14-16(15-21(24)25)13-18-10-12-28-23(18)20/h6-9,13-14H,2-5,10-12,15H2,1H3,(H,24,25)