5-hexadecoxyfuran-2-carboxylic acid

Systemtic Name: 5-hexadecoxyfuran-2-carboxylic acid Openeye Name: 5-hexadecoxyfuran-2-carboxylic acid CAS Name: 5-hexadecoxy-2-furancarboxylic acid IUPAC Name: 5-hexadecoxyfuran-2-carboxylic acid Traditional Name: 5-cetyloxy-2-furoic acid Formula: C21H36O4 MolecularWeight: 352.50814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=C(O1)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=C(O1)C(=O)O

InChI

InChI=1S/C21H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-24-20-17-16-19(25-20)21(22)23/h16-17H,2-15,18H2,1H3,(H,22,23)