5-[[5-chloranyl-2-(2-ethylbutoxy)phenyl]methyl]furan-2-carboxylic acid

Systemtic Name: 5-[[5-chloranyl-2-(2-ethylbutoxy)phenyl]methyl]furan-2-carboxylic acid Openeye Name: 5-[[5-chloro-2-(2-ethylbutoxy)phenyl]methyl]furan-2-carboxylic acid CAS Name: 5-[[5-chloro-2-(2-ethylbutoxy)phenyl]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[5-chloro-2-(2-ethylbutoxy)phenyl]methyl]furan-2-carboxylic acid Traditional Name: 5-[5-chloro-2-(2-ethylbutoxy)benzyl]-2-furoic acid Formula: C18H21ClO4 MolecularWeight: 336.80994

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)COC1=C(C=C(C=C1)Cl)CC2=CC=C(O2)C(=O)O

Isomeric SMILES

CCC(CC)COC1=C(C=C(C=C1)Cl)CC2=CC=C(O2)C(=O)O

InChI

InChI=1S/C18H21ClO4/c1-3-12(4-2)11-22-16-7-5-14(19)9-13(16)10-15-6-8-17(23-15)18(20)21/h5-9,12H,3-4,10-11H2,1-2H3,(H,20,21)