(2E)-2-(2-methylcyclopropylidene)hexanoate; 2-methylidenebutanedioic acid

Systemtic Name: (2E)-2-(2-methylcyclopropylidene)hexanoate; 2-methylidenebutanedioic acid Openeye Name: (2E)-2-(2-methylcyclopropylidene)hexanoate; 2-methylenebutanedioic acid CAS Name: (2E)-2-(2-methylcyclopropylidene)hexanoate; 2-methylenebutanedioic acid IUPAC Name: (2E)-2-(2-methylcyclopropylidene)hexanoate; 2-methylidenebutanedioic acid Traditional Name: itaconic acid; (2E)-2-(2-methylcyclopropylidene)hexanoate Formula: C15H21O6- MolecularWeight: 297.32364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=C1CC1C)C(=O)[O-].C=C(CC(=O)O)C(=O)O

Isomeric SMILES

CCCC/C(=C\1/CC1C)/C(=O)[O-].C=C(CC(=O)O)C(=O)O

InChI

InChI=1S/C10H16O2.C5H6O4/c1-3-4-5-8(10(11)12)9-6-7(9)2;1-3(5(8)9)2-4(6)7/h7H,3-6H2,1-2H3,(H,11,12);1-2H2,(H,6,7)(H,8,9)/p-1/b9-8+;