diethyl-[2-[2-(2-methyl-1,3-benzodioxol-2-yl)ethylazaniumyl]ethyl]azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: diethyl-[2-[2-(2-methyl-1,3-benzodioxol-2-yl)ethylazaniumyl]ethyl]azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: diethyl-[2-[2-(2-methyl-1,3-benzodioxol-2-yl)ethylammonio]ethyl]ammonium; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: diethyl-[2-[2-(2-methyl-1,3-benzodioxol-2-yl)ethylammonio]ethyl]ammonium; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: diethyl-[2-[2-(2-methyl-1,3-benzodioxol-2-yl)ethylazaniumyl]ethyl]azanium; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: diethyl-[2-[2-(2-methyl-1,3-benzodioxol-2-yl)ethylammonio]ethyl]ammonium; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C24H34N2O10 MolecularWeight: 510.53416

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC[NH2+]CCC1(OC2=CC=CC=C2O1)C.C(=CC(=O)[O-])C(=O)O.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CC[NH+](CC[NH2+]CCC1(OC2=CC=CC=C2O1)C)CC.C(=C\C(=O)[O-])\C(=O)O.C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C16H26N2O2.2C4H4O4/c1-4-18(5-2)13-12-17-11-10-16(3)19-14-8-6-7-9-15(14)20-16;2*5-3(6)1-2-4(7)8/h6-9,17H,4-5,10-13H2,1-3H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-