3-bromanyl-2-oxidanyl-5-(3,5,5-trimethylhexanoylamino)benzoic acid

Systemtic Name: 3-bromanyl-2-oxidanyl-5-(3,5,5-trimethylhexanoylamino)benzoic acid Openeye Name: 3-bromo-2-hydroxy-5-(3,5,5-trimethylhexanoylamino)benzoic acid CAS Name: 3-bromo-2-hydroxy-5-[(3,5,5-trimethyl-1-oxohexyl)amino]benzoic acid IUPAC Name: 3-bromo-2-hydroxy-5-(3,5,5-trimethylhexanoylamino)benzoic acid Traditional Name: 3-bromo-2-hydroxy-5-(3,5,5-trimethylhexanoylamino)benzoic acid Formula: C16H22BrNO4 MolecularWeight: 372.25418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=CC(=C(C(=C1)C(=O)O)O)Br)CC(C)(C)C

Isomeric SMILES

CC(CC(=O)NC1=CC(=C(C(=C1)C(=O)O)O)Br)CC(C)(C)C

InChI

InChI=1S/C16H22BrNO4/c1-9(8-16(2,3)4)5-13(19)18-10-6-11(15(21)22)14(20)12(17)7-10/h6-7,9,20H,5,8H2,1-4H3,(H,18,19)(H,21,22)