diethyl-[2-[[1-(phenylmethyl)cyclohexyl]azaniumyl]ethyl]azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: diethyl-[2-[[1-(phenylmethyl)cyclohexyl]azaniumyl]ethyl]azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: 2-[(1-benzylcyclohexyl)ammonio]ethyl-diethyl-ammonium; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: diethyl-[2-[[1-(phenylmethyl)cyclohexyl]ammonio]ethyl]ammonium; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: 2-[(1-benzylcyclohexyl)azaniumyl]ethyl-diethylazanium; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: 2-[(1-benzylcyclohexyl)ammonio]ethyl-diethyl-ammonium; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C27H40N2O8 MolecularWeight: 520.6151

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC[NH2+]C1(CCCCC1)CC2=CC=CC=C2.C(=CC(=O)[O-])C(=O)O.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CC[NH+](CC[NH2+]C1(CCCCC1)CC2=CC=CC=C2)CC.C(=C\C(=O)[O-])\C(=O)O.C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C19H32N2.2C4H4O4/c1-3-21(4-2)16-15-20-19(13-9-6-10-14-19)17-18-11-7-5-8-12-18;2*5-3(6)1-2-4(7)8/h5,7-8,11-12,20H,3-4,6,9-10,13-17H2,1-2H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-