dimethyl-[2-phenyl-1-(3,4,5-trimethoxyphenyl)carbonyloxy-butan-2-yl]azanium; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: dimethyl-[2-phenyl-1-(3,4,5-trimethoxyphenyl)carbonyloxy-butan-2-yl]azanium; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: dimethyl-[1-phenyl-1-[(3,4,5-trimethoxybenzoyl)oxymethyl]propyl]ammonium; (E)-4-hydroxy-4-oxo-but-2-enoate CAS Name: dimethyl-[1-[oxo-(3,4,5-trimethoxyphenyl)methoxy]-2-phenylbutan-2-yl]ammonium; (E)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: dimethyl-[2-phenyl-1-(3,4,5-trimethoxybenzoyl)oxybutan-2-yl]azanium; (E)-4-hydroxy-4-oxobut-2-enoate Traditional Name: dimethyl-[1-phenyl-1-[(3,4,5-trimethoxybenzoyl)oxymethyl]propyl]ammonium; (E)-4-hydroxy-4-keto-but-2-enoate Formula: C26H33NO9 MolecularWeight: 503.54152

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COC(=O)C1=CC(=C(C(=C1)OC)OC)OC)(C2=CC=CC=C2)[NH+](C)C.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CCC(COC(=O)C1=CC(=C(C(=C1)OC)OC)OC)(C2=CC=CC=C2)[NH+](C)C.C(=C/C(=O)[O-])\C(=O)O

InChI

InChI=1S/C22H29NO5.C4H4O4/c1-7-22(23(2)3,17-11-9-8-10-12-17)15-28-21(24)16-13-18(25-4)20(27-6)19(14-16)26-5;5-3(6)1-2-4(7)8/h8-14H,7,15H2,1-6H3;1-2H,(H,5,6)(H,7,8)/b;2-1+