2-[4-(2-benzo[f][1]benzothiol-3-yloxyethoxy)phenyl]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[4-(2-benzo[f][1]benzothiol-3-yloxyethoxy)phenyl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[4-(2-benzo[f]benzothiophen-3-yloxyethoxy)phenyl]-2-oxo-acetic acid CAS Name: 2-[4-[2-(3-benzo[f][1]benzothiolyloxy)ethoxy]phenyl]-2-oxoacetic acid IUPAC Name: 2-[4-(2-benzo[f][1]benzothiol-3-yloxyethoxy)phenyl]-2-oxoacetic acid Traditional Name: 2-[4-(2-benzo[f]benzothiophen-3-yloxyethoxy)phenyl]-2-keto-acetic acid Formula: C22H16O5S MolecularWeight: 392.42444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C3C(=CC2=C1)C(=CS3)OCCOC4=CC=C(C=C4)C(=O)C(=O)O

Isomeric SMILES

C1=CC=C2C=C3C(=CC2=C1)C(=CS3)OCCOC4=CC=C(C=C4)C(=O)C(=O)O

InChI

InChI=1S/C22H16O5S/c23-21(22(24)25)14-5-7-17(8-6-14)26-9-10-27-19-13-28-20-12-16-4-2-1-3-15(16)11-18(19)20/h1-8,11-13H,9-10H2,(H,24,25)