2-naphthalen-2-ylsulfanylpropanedioic acid

Systemtic Name: 2-naphthalen-2-ylsulfanylpropanedioic acid Openeye Name: 2-(2-naphthylsulfanyl)propanedioic acid CAS Name: 2-(2-naphthalenylthio)propanedioic acid IUPAC Name: 2-naphthalen-2-ylsulfanylpropanedioic acid Traditional Name: 2-(2-naphthylthio)malonic acid Formula: C13H10O4S MolecularWeight: 262.2811

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10O4S/c14-12(15)11(13(16)17)18-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H,(H,14,15)(H,16,17)