(2-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-(2-methyl-1-phenyl-propan-2-yl)azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: (2-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-(2-methyl-1-phenyl-propan-2-yl)azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: (2-bromo-4-hydroxy-5-methoxy-phenyl)methyl-(1,1-dimethyl-2-phenyl-ethyl)ammonium; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: (2-bromo-4-hydroxy-5-methoxyphenyl)methyl-(2-methyl-1-phenylpropan-2-yl)ammonium; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: (2-bromo-4-hydroxy-5-methoxyphenyl)methyl-(2-methyl-1-phenylpropan-2-yl)azanium; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: (2-bromo-4-hydroxy-5-methoxy-benzyl)-(1,1-dimethyl-2-phenyl-ethyl)ammonium; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C22H26BrNO6 MolecularWeight: 480.34894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC=CC=C1)[NH2+]CC2=CC(=C(C=C2Br)O)OC.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CC(C)(CC1=CC=CC=C1)[NH2+]CC2=CC(=C(C=C2Br)O)OC.C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C18H22BrNO2.C4H4O4/c1-18(2,11-13-7-5-4-6-8-13)20-12-14-9-17(22-3)16(21)10-15(14)19;5-3(6)1-2-4(7)8/h4-10,20-21H,11-12H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-