2-(naphthalen-2-ylmethylsulfanyl)propanedioic acid

Systemtic Name: 2-(naphthalen-2-ylmethylsulfanyl)propanedioic acid Openeye Name: 2-(2-naphthylmethylsulfanyl)propanedioic acid CAS Name: 2-(2-naphthalenylmethylthio)propanedioic acid IUPAC Name: 2-(naphthalen-2-ylmethylsulfanyl)propanedioic acid Traditional Name: 2-(2-naphthylmethylthio)malonic acid Formula: C14H12O4S MolecularWeight: 276.30768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)CSC(C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)CSC(C(=O)O)C(=O)O

InChI

InChI=1S/C14H12O4S/c15-13(16)12(14(17)18)19-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7,12H,8H2,(H,15,16)(H,17,18)