5-[[5-chloranyl-2-(3-methylbutoxy)phenyl]methyl]furan-2-carboxylic acid

Systemtic Name: 5-[[5-chloranyl-2-(3-methylbutoxy)phenyl]methyl]furan-2-carboxylic acid Openeye Name: 5-[(5-chloro-2-isopentyloxy-phenyl)methyl]furan-2-carboxylic acid CAS Name: 5-[[5-chloro-2-(3-methylbutoxy)phenyl]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[5-chloro-2-(3-methylbutoxy)phenyl]methyl]furan-2-carboxylic acid Traditional Name: 5-(5-chloro-2-isoamoxy-benzyl)-2-furoic acid Formula: C17H19ClO4 MolecularWeight: 322.78336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)Cl)CC2=CC=C(O2)C(=O)O

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)Cl)CC2=CC=C(O2)C(=O)O

InChI

InChI=1S/C17H19ClO4/c1-11(2)7-8-21-15-5-3-13(18)9-12(15)10-14-4-6-16(22-14)17(19)20/h3-6,9,11H,7-8,10H2,1-2H3,(H,19,20)