3-methylidene-2,2-bis(1-oxidanylidene-1-propoxy-propan-2-yl)butanedioic acid

Systemtic Name: 3-methylidene-2,2-bis(1-oxidanylidene-1-propoxy-propan-2-yl)butanedioic acid Openeye Name: 3-methylene-2,2-bis(1-methyl-2-oxo-2-propoxy-ethyl)butanedioic acid CAS Name: 3-methylene-2,2-bis(1-oxo-1-propoxypropan-2-yl)butanedioic acid IUPAC Name: 3-methylidene-2,2-bis(1-oxo-1-propoxypropan-2-yl)butanedioic acid Traditional Name: 2,2-bis(2-keto-1-methyl-2-propoxy-ethyl)-3-methylene-succinic acid Formula: C17H26O8 MolecularWeight: 358.38354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C(C)C(C(C)C(=O)OCCC)(C(=C)C(=O)O)C(=O)O

Isomeric SMILES

CCCOC(=O)C(C)C(C(C)C(=O)OCCC)(C(=C)C(=O)O)C(=O)O

InChI

InChI=1S/C17H26O8/c1-6-8-24-14(20)11(4)17(16(22)23,10(3)13(18)19)12(5)15(21)25-9-7-2/h11-12H,3,6-9H2,1-2,4-5H3,(H,18,19)(H,22,23)