dimethyl-[3-[2-[(Z)-3-oxidanylidene-1-phenyl-but-1-en-2-yl]oxyphenoxy]propyl]azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: dimethyl-[3-[2-[(Z)-3-oxidanylidene-1-phenyl-but-1-en-2-yl]oxyphenoxy]propyl]azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: 3-[2-[(1Z)-1-benzylidene-2-oxo-propoxy]phenoxy]propyl-dimethyl-ammonium; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: dimethyl-[3-[2-[(Z)-3-oxo-1-phenylbut-1-en-2-yl]oxyphenoxy]propyl]ammonium; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: dimethyl-[3-[2-[(Z)-3-oxo-1-phenylbut-1-en-2-yl]oxyphenoxy]propyl]azanium; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: 3-[2-[(Z)-1-acetyl-2-phenyl-vinyloxy]phenoxy]propyl-dimethyl-ammonium; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C25H29NO7 MolecularWeight: 455.50026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC=CC=C1)OC2=CC=CC=C2OCCC[NH+](C)C.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CC(=O)/C(=C/C1=CC=CC=C1)/OC2=CC=CC=C2OCCC[NH+](C)C.C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C21H25NO3.C4H4O4/c1-17(23)21(16-18-10-5-4-6-11-18)25-20-13-8-7-12-19(20)24-15-9-14-22(2)3;5-3(6)1-2-4(7)8/h4-8,10-13,16H,9,14-15H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b21-16-;2-1-