2-[8-(chloromethyl)naphthalen-1-yl]sulfanylethanoic acid

Systemtic Name: 2-[8-(chloromethyl)naphthalen-1-yl]sulfanylethanoic acid Openeye Name: 2-[[8-(chloromethyl)-1-naphthyl]sulfanyl]acetic acid CAS Name: 2-[[8-(chloromethyl)-1-naphthalenyl]thio]acetic acid IUPAC Name: 2-[8-(chloromethyl)naphthalen-1-yl]sulfanylacetic acid Traditional Name: 2-[[8-(chloromethyl)-1-naphthyl]thio]acetic acid Formula: C13H11ClO2S MolecularWeight: 266.74324

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)CCl)C(=CC=C2)SCC(=O)O

Isomeric SMILES

C1=CC2=C(C(=C1)CCl)C(=CC=C2)SCC(=O)O

InChI

InChI=1S/C13H11ClO2S/c14-7-10-5-1-3-9-4-2-6-11(13(9)10)17-8-12(15)16/h1-6H,7-8H2,(H,15,16)