2-(butylsulfanylmethyl)furan-3-carboxylic acid

Systemtic Name: 2-(butylsulfanylmethyl)furan-3-carboxylic acid Openeye Name: 2-(butylsulfanylmethyl)furan-3-carboxylic acid CAS Name: 2-[(butylthio)methyl]-3-furancarboxylic acid IUPAC Name: 2-(butylsulfanylmethyl)furan-3-carboxylic acid Traditional Name: 2-[(butylthio)methyl]-3-furoic acid Formula: C10H14O3S MolecularWeight: 214.28136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC1=C(C=CO1)C(=O)O

Isomeric SMILES

CCCCSCC1=C(C=CO1)C(=O)O

InChI

InChI=1S/C10H14O3S/c1-2-3-6-14-7-9-8(10(11)12)4-5-13-9/h4-5H,2-3,6-7H2,1H3,(H,11,12)