5-[[2-chloranyl-4-(3-methylpentan-3-yl)phenoxy]methyl]furan-2-carboxylic acid

Systemtic Name: 5-[[2-chloranyl-4-(3-methylpentan-3-yl)phenoxy]methyl]furan-2-carboxylic acid Openeye Name: 5-[[2-chloro-4-(1-ethyl-1-methyl-propyl)phenoxy]methyl]furan-2-carboxylic acid CAS Name: 5-[[2-chloro-4-(3-methylpentan-3-yl)phenoxy]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[2-chloro-4-(3-methylpentan-3-yl)phenoxy]methyl]furan-2-carboxylic acid Traditional Name: 5-[[2-chloro-4-(1-ethyl-1-methyl-propyl)phenoxy]methyl]-2-furoic acid Formula: C18H21ClO4 MolecularWeight: 336.80994

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC)C1=CC(=C(C=C1)OCC2=CC=C(O2)C(=O)O)Cl

Isomeric SMILES

CCC(C)(CC)C1=CC(=C(C=C1)OCC2=CC=C(O2)C(=O)O)Cl

InChI

InChI=1S/C18H21ClO4/c1-4-18(3,5-2)12-6-8-15(14(19)10-12)22-11-13-7-9-16(23-13)17(20)21/h6-10H,4-5,11H2,1-3H3,(H,20,21)