2-ethoxycarbonyl-3-methyl-2-prop-2-enyl-hexanedioic acid

Systemtic Name: 2-ethoxycarbonyl-3-methyl-2-prop-2-enyl-hexanedioic acid Openeye Name: 2-allyl-2-ethoxycarbonyl-3-methyl-hexanedioic acid CAS Name: 2-ethoxycarbonyl-3-methyl-2-prop-2-enylhexanedioic acid IUPAC Name: 2-ethoxycarbonyl-3-methyl-2-prop-2-enylhexanedioic acid Traditional Name: 2-allyl-2-carbethoxy-3-methyl-adipic acid Formula: C13H20O6 MolecularWeight: 272.2943

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC=C)(C(C)CCC(=O)O)C(=O)O

Isomeric SMILES

CCOC(=O)C(CC=C)(C(C)CCC(=O)O)C(=O)O

InChI

InChI=1S/C13H20O6/c1-4-8-13(11(16)17,12(18)19-5-2)9(3)6-7-10(14)15/h4,9H,1,5-8H2,2-3H3,(H,14,15)(H,16,17)