3,3-bis(fluoranyl)-2-[7-(methoxymethylsulfanyl)naphthalen-2-yl]propanoic acid

Systemtic Name: 3,3-bis(fluoranyl)-2-[7-(methoxymethylsulfanyl)naphthalen-2-yl]propanoic acid Openeye Name: 3,3-difluoro-2-[7-(methoxymethylsulfanyl)-2-naphthyl]propanoic acid CAS Name: 3,3-difluoro-2-[7-(methoxymethylthio)-2-naphthalenyl]propanoic acid IUPAC Name: 3,3-difluoro-2-[7-(methoxymethylsulfanyl)naphthalen-2-yl]propanoic acid Traditional Name: 3,3-difluoro-2-[7-(methoxymethylthio)-2-naphthyl]propionic acid Formula: C15H14F2O3S MolecularWeight: 312.331666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCSC1=CC2=C(C=CC(=C2)C(C(F)F)C(=O)O)C=C1

Isomeric SMILES

COCSC1=CC2=C(C=CC(=C2)C(C(F)F)C(=O)O)C=C1

InChI

InChI=1S/C15H14F2O3S/c1-20-8-21-12-5-4-9-2-3-10(6-11(9)7-12)13(14(16)17)15(18)19/h2-7,13-14H,8H2,1H3,(H,18,19)