2-(2-butoxy-3-methoxy-phenyl)ethyl-bis[2-(butylcarbamoyloxy)ethyl]azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: 2-(2-butoxy-3-methoxy-phenyl)ethyl-bis[2-(butylcarbamoyloxy)ethyl]azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: 2-(2-butoxy-3-methoxy-phenyl)ethyl-bis[2-(butylcarbamoyloxy)ethyl]ammonium; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: 2-(2-butoxy-3-methoxyphenyl)ethyl-bis[2-[butylamino(oxo)methoxy]ethyl]ammonium; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: 2-(2-butoxy-3-methoxyphenyl)ethyl-bis[2-(butylcarbamoyloxy)ethyl]azanium; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: 2-(2-butoxy-3-methoxy-phenyl)ethyl-bis[2-(butylcarbamoyloxy)ethyl]ammonium; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C31H51N3O10 MolecularWeight: 625.75074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)OCC[NH+](CCC1=C(C(=CC=C1)OC)OCCCC)CCOC(=O)NCCCC.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CCCCNC(=O)OCC[NH+](CCC1=C(C(=CC=C1)OC)OCCCC)CCOC(=O)NCCCC.C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C27H47N3O6.C4H4O4/c1-5-8-15-28-26(31)35-21-18-30(19-22-36-27(32)29-16-9-6-2)17-14-23-12-11-13-24(33-4)25(23)34-20-10-7-3;5-3(6)1-2-4(7)8/h11-13H,5-10,14-22H2,1-4H3,(H,28,31)(H,29,32);1-2H,(H,5,6)(H,7,8)/b;2-1-