4-hexadecylsulfanylfuran-2-carboxylic acid

Systemtic Name: 4-hexadecylsulfanylfuran-2-carboxylic acid Openeye Name: 4-hexadecylsulfanylfuran-2-carboxylic acid CAS Name: 4-(hexadecylthio)-2-furancarboxylic acid IUPAC Name: 4-hexadecylsulfanylfuran-2-carboxylic acid Traditional Name: 4-(cetylthio)-2-furoic acid Formula: C21H36O3S MolecularWeight: 368.57374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC1=COC(=C1)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCSC1=COC(=C1)C(=O)O

InChI

InChI=1S/C21H36O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25-19-17-20(21(22)23)24-18-19/h17-18H,2-16H2,1H3,(H,22,23)