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

Systemtic Name: 4-[(2-bromanyl-6-tert-butyl-4-methyl-phenoxy)methyl]-5-methyl-furan-2-carboxylic acid Openeye Name: 4-[(2-bromo-6-tert-butyl-4-methyl-phenoxy)methyl]-5-methyl-furan-2-carboxylic acid CAS Name: 4-[(2-bromo-6-tert-butyl-4-methylphenoxy)methyl]-5-methyl-2-furancarboxylic acid IUPAC Name: 4-[(2-bromo-6-tert-butyl-4-methylphenoxy)methyl]-5-methylfuran-2-carboxylic acid Traditional Name: 4-[(2-bromo-6-tert-butyl-4-methyl-phenoxy)methyl]-5-methyl-2-furoic acid Formula: C18H21BrO4 MolecularWeight: 381.26094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)OCC2=C(OC(=C2)C(=O)O)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)OCC2=C(OC(=C2)C(=O)O)C)C(C)(C)C

InChI

InChI=1S/C18H21BrO4/c1-10-6-13(18(3,4)5)16(14(19)7-10)22-9-12-8-15(17(20)21)23-11(12)2/h6-8H,9H2,1-5H3,(H,20,21)