4-[(4-bromanyl-2-propan-2-yl-phenoxy)methyl]-5-methyl-furan-2-carboxylate

Systemtic Name: 4-[(4-bromanyl-2-propan-2-yl-phenoxy)methyl]-5-methyl-furan-2-carboxylate Openeye Name: 4-[(4-bromo-2-isopropyl-phenoxy)methyl]-5-methyl-furan-2-carboxylate CAS Name: 4-[(4-bromo-2-propan-2-ylphenoxy)methyl]-5-methyl-2-furancarboxylate IUPAC Name: 4-[(4-bromo-2-propan-2-ylphenoxy)methyl]-5-methylfuran-2-carboxylate Traditional Name: 4-[(4-bromo-2-isopropyl-phenoxy)methyl]-5-methyl-2-furoate Formula: C16H16BrO4- MolecularWeight: 352.19984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C(=O)[O-])COC2=C(C=C(C=C2)Br)C(C)C

Isomeric SMILES

CC1=C(C=C(O1)C(=O)[O-])COC2=C(C=C(C=C2)Br)C(C)C

InChI

InChI=1S/C16H17BrO4/c1-9(2)13-7-12(17)4-5-14(13)20-8-11-6-15(16(18)19)21-10(11)3/h4-7,9H,8H2,1-3H3,(H,18,19)/p-1