4-[(2-bromanyl-6-tert-butyl-4-ethyl-phenoxy)methyl]-5-methyl-furan-2-carboxylic acid

Systemtic Name: 4-[(2-bromanyl-6-tert-butyl-4-ethyl-phenoxy)methyl]-5-methyl-furan-2-carboxylic acid Openeye Name: 4-[(2-bromo-6-tert-butyl-4-ethyl-phenoxy)methyl]-5-methyl-furan-2-carboxylic acid CAS Name: 4-[(2-bromo-6-tert-butyl-4-ethylphenoxy)methyl]-5-methyl-2-furancarboxylic acid IUPAC Name: 4-[(2-bromo-6-tert-butyl-4-ethylphenoxy)methyl]-5-methylfuran-2-carboxylic acid Traditional Name: 4-[(2-bromo-6-tert-butyl-4-ethyl-phenoxy)methyl]-5-methyl-2-furoic acid Formula: C19H23BrO4 MolecularWeight: 395.28752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C(=C1)Br)OCC2=C(OC(=C2)C(=O)O)C)C(C)(C)C

Isomeric SMILES

CCC1=CC(=C(C(=C1)Br)OCC2=C(OC(=C2)C(=O)O)C)C(C)(C)C

InChI

InChI=1S/C19H23BrO4/c1-6-12-7-14(19(3,4)5)17(15(20)8-12)23-10-13-9-16(18(21)22)24-11(13)2/h7-9H,6,10H2,1-5H3,(H,21,22)