3-(naphthalen-1-ylmethylsulfanyl)propanoate

Systemtic Name: 3-(naphthalen-1-ylmethylsulfanyl)propanoate Openeye Name: 3-(1-naphthylmethylsulfanyl)propanoate CAS Name: 3-(1-naphthalenylmethylthio)propanoate IUPAC Name: 3-(naphthalen-1-ylmethylsulfanyl)propanoate Traditional Name: 3-(1-naphthylmethylthio)propionate Formula: C14H13O2S- MolecularWeight: 245.31682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CSCCC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CSCCC(=O)[O-]

InChI

InChI=1S/C14H14O2S/c15-14(16)8-9-17-10-12-6-3-5-11-4-1-2-7-13(11)12/h1-7H,8-10H2,(H,15,16)/p-1