butan-2-one; (Z)-2-methylbut-2-enedioic acid

Systemtic Name: butan-2-one; (Z)-2-methylbut-2-enedioic acid Openeye Name: butan-2-one; (Z)-2-methylbut-2-enedioic acid CAS Name: 2-butanone; (Z)-2-methyl-2-butenedioic acid IUPAC Name: butan-2-one; (Z)-2-methylbut-2-enedioic acid Traditional Name: butan-2-one; citraconic acid Formula: C9H14O5 MolecularWeight: 202.20446

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C.CC(=CC(=O)O)C(=O)O

Isomeric SMILES

CCC(=O)C.C/C(=C/C(=O)O)/C(=O)O

InChI

InChI=1S/C5H6O4.C4H8O/c1-3(5(8)9)2-4(6)7;1-3-4(2)5/h2H,1H3,(H,6,7)(H,8,9);3H2,1-2H3/b3-2-;