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

Systemtic Name: (Z)-2-(2-ethylhexyl)but-2-enedioate chloride Openeye Name: (Z)-2-(2-ethylhexyl)but-2-enedioate chloride CAS Name: (Z)-2-(2-ethylhexyl)-2-butenedioate chloride IUPAC Name: (Z)-2-(2-ethylhexyl)but-2-enedioate chloride Traditional Name: (Z)-2-(2-ethylhexyl)but-2-enedioate chloride Formula: C12H18ClO4-3 MolecularWeight: 261.72192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC(=CC(=O)[O-])C(=O)[O-].[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C12H20O4.ClH/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);1H/p-3/b10-8-;