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

Systemtic Name: diethyl-[2-[3-(2-methyl-1,3-benzodioxol-2-yl)propylazaniumyl]ethyl]azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: diethyl-[2-[3-(2-methyl-1,3-benzodioxol-2-yl)propylammonio]ethyl]ammonium; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: diethyl-[2-[3-(2-methyl-1,3-benzodioxol-2-yl)propylammonio]ethyl]ammonium; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: diethyl-[2-[3-(2-methyl-1,3-benzodioxol-2-yl)propylazaniumyl]ethyl]azanium; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: diethyl-[2-[3-(2-methyl-1,3-benzodioxol-2-yl)propylammonio]ethyl]ammonium; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C25H36N2O10 MolecularWeight: 524.56074

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC[NH2+]CCCC1(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+]CCCC1(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/C17H28N2O2.2C4H4O4/c1-4-19(5-2)14-13-18-12-8-11-17(3)20-15-9-6-7-10-16(15)21-17;2*5-3(6)1-2-4(7)8/h6-7,9-10,18H,4-5,8,11-14H2,1-3H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-