(2E)-2-(4-butoxy-4-oxidanylidene-butan-2-ylidene)butanedioic acid

Systemtic Name: (2E)-2-(4-butoxy-4-oxidanylidene-butan-2-ylidene)butanedioic acid Openeye Name: (2E)-2-(3-butoxy-1-methyl-3-oxo-propylidene)butanedioic acid CAS Name: (2E)-2-(4-butoxy-4-oxobutan-2-ylidene)butanedioic acid IUPAC Name: (2E)-2-(4-butoxy-4-oxobutan-2-ylidene)butanedioic acid Traditional Name: (2E)-2-(3-butoxy-3-keto-1-methyl-propylidene)succinic acid Formula: C12H18O6 MolecularWeight: 258.26772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CC(=C(CC(=O)O)C(=O)O)C

Isomeric SMILES

CCCCOC(=O)C/C(=C(\CC(=O)O)/C(=O)O)/C

InChI

InChI=1S/C12H18O6/c1-3-4-5-18-11(15)6-8(2)9(12(16)17)7-10(13)14/h3-7H2,1-2H3,(H,13,14)(H,16,17)/b9-8+