2-[4-(4-naphthalen-2-ylsulfanylbutoxy)phenyl]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[4-(4-naphthalen-2-ylsulfanylbutoxy)phenyl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[4-[4-(2-naphthylsulfanyl)butoxy]phenyl]-2-oxo-acetic acid CAS Name: 2-[4-[4-(2-naphthalenylthio)butoxy]phenyl]-2-oxoacetic acid IUPAC Name: 2-[4-(4-naphthalen-2-ylsulfanylbutoxy)phenyl]-2-oxoacetic acid Traditional Name: 2-keto-2-[4-[4-(2-naphthylthio)butoxy]phenyl]acetic acid Formula: C22H20O4S MolecularWeight: 380.4568

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)SCCCCOC3=CC=C(C=C3)C(=O)C(=O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)SCCCCOC3=CC=C(C=C3)C(=O)C(=O)O

InChI

InChI=1S/C22H20O4S/c23-21(22(24)25)17-7-10-19(11-8-17)26-13-3-4-14-27-20-12-9-16-5-1-2-6-18(16)15-20/h1-2,5-12,15H,3-4,13-14H2,(H,24,25)