4-dodecylsulfanylfuran-2-carboxylic acid

Systemtic Name: 4-dodecylsulfanylfuran-2-carboxylic acid Openeye Name: 4-dodecylsulfanylfuran-2-carboxylic acid CAS Name: 4-(dodecylthio)-2-furancarboxylic acid IUPAC Name: 4-dodecylsulfanylfuran-2-carboxylic acid Traditional Name: 4-(laurylthio)-2-furoic acid Formula: C17H28O3S MolecularWeight: 312.46742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=COC(=C1)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCSC1=COC(=C1)C(=O)O

InChI

InChI=1S/C17H28O3S/c1-2-3-4-5-6-7-8-9-10-11-12-21-15-13-16(17(18)19)20-14-15/h13-14H,2-12H2,1H3,(H,18,19)