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ethanedioic acid; 3-propan-2-ylideneheptan-2-one

ethanedioic acid; 3-propan-2-ylideneheptan-2-one

Systemtic Name:ethanedioic acid; 3-propan-2-ylideneheptan-2-one
Openeye Name:3-isopropylideneheptan-2-one; oxalic acid
CAS Name:oxalic acid; 3-propan-2-ylidene-2-heptanone
IUPAC Name:oxalic acid; 3-propan-2-ylideneheptan-2-one
Traditional Name:3-butyl-4-methyl-pent-3-en-2-one; oxalic acid
Formula: C12H20O5
MolecularWeight: 244.2842
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=C(C)C)C(=O)C.C(=O)(C(=O)O)O


Isomeric SMILES

CCCCC(=C(C)C)C(=O)C.C(=O)(C(=O)O)O


InChI

InChI=1S/C10H18O.C2H2O4/c1-5-6-7-10(8(2)3)9(4)11;3-1(4)2(5)6/h5-7H2,1-4H3;(H,3,4)(H,5,6)


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