sodium 5-(phenylsulfanylmethyl)furan-3-carboxylate

Systemtic Name: sodium 5-(phenylsulfanylmethyl)furan-3-carboxylate Openeye Name: sodium 5-(phenylsulfanylmethyl)furan-3-carboxylate CAS Name: sodium 5-[(phenylthio)methyl]-3-furancarboxylate IUPAC Name: sodium 5-(phenylsulfanylmethyl)furan-3-carboxylate Traditional Name: sodium 5-[(phenylthio)methyl]-3-furoate Formula: C12H9NaO3S MolecularWeight: 256.25283

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC2=CC(=CO2)C(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)SCC2=CC(=CO2)C(=O)[O-].[Na+]

InChI

InChI=1S/C12H10O3S.Na/c13-12(14)9-6-10(15-7-9)8-16-11-4-2-1-3-5-11;/h1-7H,8H2,(H,13,14);/q;+1/p-1