4-undecylsulfanylfuran-3-carboxylic acid

Systemtic Name: 4-undecylsulfanylfuran-3-carboxylic acid Openeye Name: 4-undecylsulfanylfuran-3-carboxylic acid CAS Name: 4-(undecylthio)-3-furancarboxylic acid IUPAC Name: 4-undecylsulfanylfuran-3-carboxylic acid Traditional Name: 4-(undecylthio)-3-furoic acid Formula: C16H26O3S MolecularWeight: 298.44084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCSC1=COC=C1C(=O)O

Isomeric SMILES

CCCCCCCCCCCSC1=COC=C1C(=O)O

InChI

InChI=1S/C16H26O3S/c1-2-3-4-5-6-7-8-9-10-11-20-15-13-19-12-14(15)16(17)18/h12-13H,2-11H2,1H3,(H,17,18)