(E)-but-2-enedioic acid; (E)-3-butyloct-2-enoate

Systemtic Name: (E)-but-2-enedioic acid; (E)-3-butyloct-2-enoate Openeye Name: (E)-3-butyloct-2-enoate; fumaric acid CAS Name: (E)-2-butenedioic acid; (E)-3-butyl-2-octenoate IUPAC Name: (E)-but-2-enedioic acid; (E)-3-butyloct-2-enoate Traditional Name: (E)-3-butyloct-2-enoate; fumaric acid Formula: C16H25O6- MolecularWeight: 313.3661

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=CC(=O)[O-])CCCC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCC/C(=C/C(=O)[O-])/CCCC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H22O2.C4H4O4/c1-3-5-7-9-11(8-6-4-2)10-12(13)14;5-3(6)1-2-4(7)8/h10H,3-9H2,1-2H3,(H,13,14);1-2H,(H,5,6)(H,7,8)/p-1/b11-10+;2-1+