3-(naphthalen-2-ylsulfanylmethyl)furan-2-carboxylic acid

Systemtic Name: 3-(naphthalen-2-ylsulfanylmethyl)furan-2-carboxylic acid Openeye Name: 3-(2-naphthylsulfanylmethyl)furan-2-carboxylic acid CAS Name: 3-[(2-naphthalenylthio)methyl]-2-furancarboxylic acid IUPAC Name: 3-(naphthalen-2-ylsulfanylmethyl)furan-2-carboxylic acid Traditional Name: 3-[(2-naphthylthio)methyl]-2-furoic acid Formula: C16H12O3S MolecularWeight: 284.32968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)SCC3=C(OC=C3)C(=O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)SCC3=C(OC=C3)C(=O)O

InChI

InChI=1S/C16H12O3S/c17-16(18)15-13(7-8-19-15)10-20-14-6-5-11-3-1-2-4-12(11)9-14/h1-9H,10H2,(H,17,18)