(E)-4-(2-oxidanylheptan-4-yloxy)-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-(2-oxidanylheptan-4-yloxy)-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-(3-hydroxy-1-propyl-butoxy)-4-oxo-but-2-enoic acid CAS Name: (E)-4-(2-hydroxyheptan-4-yloxy)-4-oxo-2-butenoic acid IUPAC Name: (E)-4-(2-hydroxyheptan-4-yloxy)-4-oxobut-2-enoic acid Traditional Name: (E)-4-(3-hydroxy-1-propyl-butoxy)-4-keto-but-2-enoic acid Formula: C11H18O5 MolecularWeight: 230.25762

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC(C)O)OC(=O)C=CC(=O)O

Isomeric SMILES

CCCC(CC(C)O)OC(=O)/C=C/C(=O)O

InChI

InChI=1S/C11H18O5/c1-3-4-9(7-8(2)12)16-11(15)6-5-10(13)14/h5-6,8-9,12H,3-4,7H2,1-2H3,(H,13,14)/b6-5+