azanium (Z)-2-(2-ethylhexyl)but-2-enedioate

Systemtic Name: azanium (Z)-2-(2-ethylhexyl)but-2-enedioate Openeye Name: ammonium (Z)-2-(2-ethylhexyl)but-2-enedioate CAS Name: ammonium (Z)-2-(2-ethylhexyl)-2-butenedioate IUPAC Name: azanium (Z)-2-(2-ethylhexyl)but-2-enedioate Traditional Name: ammonium (Z)-2-(2-ethylhexyl)but-2-enedioate Formula: C12H22NO4- MolecularWeight: 244.30738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC(=CC(=O)[O-])C(=O)[O-].[NH4+]

Isomeric SMILES

CCCCC(CC)C/C(=C/C(=O)[O-])/C(=O)[O-].[NH4+]

InChI

InChI=1S/C12H20O4.H3N/c1-3-5-6-9(4-2)7-10(12(15)16)8-11(13)14;/h8-9H,3-7H2,1-2H3,(H,13,14)(H,15,16);1H3/p-1/b10-8-;