(2E)-2-(1-oxidanylidene-1-propoxy-hexan-3-ylidene)butanedioic acid

Systemtic Name: (2E)-2-(1-oxidanylidene-1-propoxy-hexan-3-ylidene)butanedioic acid Openeye Name: (2E)-2-[1-(2-oxo-2-propoxy-ethyl)butylidene]butanedioic acid CAS Name: (2E)-2-(1-oxo-1-propoxyhexan-3-ylidene)butanedioic acid IUPAC Name: (2E)-2-(1-oxo-1-propoxyhexan-3-ylidene)butanedioic acid Traditional Name: (2E)-2-[1-(2-keto-2-propoxy-ethyl)butylidene]succinic acid Formula: C13H20O6 MolecularWeight: 272.2943

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=C(CC(=O)O)C(=O)O)CC(=O)OCCC

Isomeric SMILES

CCC/C(=C(/CC(=O)O)\C(=O)O)/CC(=O)OCCC

InChI

InChI=1S/C13H20O6/c1-3-5-9(7-12(16)19-6-4-2)10(13(17)18)8-11(14)15/h3-8H2,1-2H3,(H,14,15)(H,17,18)/b10-9+