(E)-2,3-bis(3-azanylpropyl)but-2-enedioate; (Z)-2,3-bis(1-cyanoethyl)but-2-enedioate; (Z)-2,3-bis[1,1,1-tris(fluoranyl)propan-2-yl]but-2-enedioate; (Z)-2,3-bis[3,3,3-tris(fluoranyl)propyl]but-2-enedioate; butane

Systemtic Name: (E)-2,3-bis(3-azanylpropyl)but-2-enedioate; (Z)-2,3-bis(1-cyanoethyl)but-2-enedioate; (Z)-2,3-bis[1,1,1-tris(fluoranyl)propan-2-yl]but-2-enedioate; (Z)-2,3-bis[3,3,3-tris(fluoranyl)propyl]but-2-enedioate; butane Openeye Name: (E)-2,3-bis(3-aminopropyl)but-2-enedioate; (Z)-2,3-bis(1-cyanoethyl)but-2-enedioate; (Z)-2,3-bis(2,2,2-trifluoro-1-methyl-ethyl)but-2-enedioate; (Z)-2,3-bis(3,3,3-trifluoropropyl)but-2-enedioate; butane CAS Name: (E)-2,3-bis(3-aminopropyl)-2-butenedioate; (Z)-2,3-bis(1-cyanoethyl)-2-butenedioate; (Z)-2,3-bis(1,1,1-trifluoropropan-2-yl)-2-butenedioate; (Z)-2,3-bis(3,3,3-trifluoropropyl)-2-butenedioate; butane IUPAC Name: (E)-2,3-bis(3-aminopropyl)but-2-enedioate; (Z)-2,3-bis(1-cyanoethyl)but-2-enedioate; (Z)-2,3-bis(1,1,1-trifluoropropan-2-yl)but-2-enedioate; (Z)-2,3-bis(3,3,3-trifluoropropyl)but-2-enedioate; butane Traditional Name: (E)-2,3-bis(3-aminopropyl)but-2-enedioate; (Z)-2,3-bis(1-cyanoethyl)but-2-enedioate; (Z)-2,3-bis(2,2,2-trifluoro-1-methyl-ethyl)but-2-enedioate; (Z)-2,3-bis(3,3,3-trifluoropropyl)but-2-enedioate; n-butane Formula: C56H80F12N4O16-8 MolecularWeight: 1293.232438

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Descriptors Computed from Structure

Canonical SMILES:

CCCC.CCCC.CCCC.CCCC.CC(C#N)C(=C(C(C)C#N)C(=O)[O-])C(=O)[O-].CC(C(=C(C(C)C(F)(F)F)C(=O)[O-])C(=O)[O-])C(F)(F)F.C(CC(=C(CCCN)C(=O)[O-])C(=O)[O-])CN.C(CC(F)(F)F)C(=C(CCC(F)(F)F)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCC.CCCC.CCCC.CCCC.CC(C#N)/C(=C(\C(C)C#N)/C(=O)[O-])/C(=O)[O-].CC(/C(=C(\C(C)C(F)(F)F)/C(=O)[O-])/C(=O)[O-])C(F)(F)F.C(C/C(=C(/CCCN)\C(=O)[O-])/C(=O)[O-])CN.C(CC(F)(F)F)/C(=C(\CCC(F)(F)F)/C(=O)[O-])/C(=O)[O-]

InChI

InChI=1S/2C10H10F6O4.C10H10N2O4.C10H18N2O4.4C4H10/c1-3(9(11,12)13)5(7(17)18)6(8(19)20)4(2)10(14,15)16;11-9(12,13)3-1-5(7(17)18)6(8(19)20)2-4-10(14,15)16;1-5(3-11)7(9(13)14)8(10(15)16)6(2)4-12;11-5-1-3-7(9(13)14)8(10(15)16)4-2-6-12;4*1-3-4-2/h3-4H,1-2H3,(H,17,18)(H,19,20);1-4H2,(H,17,18)(H,19,20);5-6H,1-2H3,(H,13,14)(H,15,16);1-6,11-12H2,(H,13,14)(H,15,16);4*3-4H2,1-2H3/p-8/b2*6-5-;8-7-;8-7+;;;;