(2-bromanyl-6-methoxy-4-oxidanyl-phenyl)methyl-(1-phenylpropan-2-yl)azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: (2-bromanyl-6-methoxy-4-oxidanyl-phenyl)methyl-(1-phenylpropan-2-yl)azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: (2-bromo-4-hydroxy-6-methoxy-phenyl)methyl-(1-methyl-2-phenyl-ethyl)ammonium; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: (2-bromo-4-hydroxy-6-methoxyphenyl)methyl-(1-phenylpropan-2-yl)ammonium; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: (2-bromo-4-hydroxy-6-methoxyphenyl)methyl-(1-phenylpropan-2-yl)azanium; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: (2-bromo-4-hydroxy-6-methoxy-benzyl)-(1-methyl-2-phenyl-ethyl)ammonium; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C21H24BrNO6 MolecularWeight: 466.32236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20BrNO2.C4H4O4/c1-12(8-13-6-4-3-5-7-13)19-11-15-16(18)9-14(20)10-17(15)21-2;5-3(6)1-2-4(7)8/h3-7,9-10,12,19-20H,8,11H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-