hexanedioate; prop-1-ene

Systemtic Name: hexanedioate; prop-1-ene Openeye Name: hexanedioate; prop-1-ene CAS Name: hexanedioate; 1-propene IUPAC Name: hexanedioate; prop-1-ene Traditional Name: adipate; prop-1-ene Formula: C12H20O4-2 MolecularWeight: 228.2848

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Descriptors Computed from Structure

Canonical SMILES:

CC=C.CC=C.C(CCC(=O)[O-])CC(=O)[O-]

Isomeric SMILES

CC=C.CC=C.C(CCC(=O)[O-])CC(=O)[O-]

InChI

InChI=1S/C6H10O4.2C3H6/c7-5(8)3-1-2-4-6(9)10;2*1-3-2/h1-4H2,(H,7,8)(H,9,10);2*3H,1H2,2H3/p-2