3-bromanyl-4-(3,4-diacetyloxyphenyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 3-bromanyl-4-(3,4-diacetyloxyphenyl)-4-oxidanylidene-butanoic acid Openeye Name: 3-bromo-4-(3,4-diacetoxyphenyl)-4-oxo-butanoic acid CAS Name: 3-bromo-4-(3,4-diacetyloxyphenyl)-4-oxobutanoic acid IUPAC Name: 3-bromo-4-(3,4-diacetyloxyphenyl)-4-oxobutanoic acid Traditional Name: 3-bromo-4-(3,4-diacetoxyphenyl)-4-keto-butyric acid Formula: C14H13BrO7 MolecularWeight: 373.15282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)C(=O)C(CC(=O)O)Br)OC(=O)C

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)C(=O)C(CC(=O)O)Br)OC(=O)C

InChI

InChI=1S/C14H13BrO7/c1-7(16)21-11-4-3-9(5-12(11)22-8(2)17)14(20)10(15)6-13(18)19/h3-5,10H,6H2,1-2H3,(H,18,19)