5-pentadecylsulfanylfuran-2-carboxylic acid

Systemtic Name: 5-pentadecylsulfanylfuran-2-carboxylic acid Openeye Name: 5-pentadecylsulfanylfuran-2-carboxylic acid CAS Name: 5-(pentadecylthio)-2-furancarboxylic acid IUPAC Name: 5-pentadecylsulfanylfuran-2-carboxylic acid Traditional Name: 5-(pentadecylthio)-2-furoic acid Formula: C20H34O3S MolecularWeight: 354.54716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCSC1=CC=C(O1)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCSC1=CC=C(O1)C(=O)O

InChI

InChI=1S/C20H34O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-24-19-16-15-18(23-19)20(21)22/h15-16H,2-14,17H2,1H3,(H,21,22)