(E)-but-2-enedioate; hexanedioate; prop-1-ene

Systemtic Name: (E)-but-2-enedioate; hexanedioate; prop-1-ene Openeye Name: (E)-but-2-enedioate; hexanedioate; prop-1-ene CAS Name: (E)-2-butenedioate; hexanedioate; 1-propene IUPAC Name: (E)-but-2-enedioate; hexanedioate; prop-1-ene Traditional Name: adipate; prop-1-ene; fumarate Formula: C13H16O8-4 MolecularWeight: 300.26134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H10O4.C4H4O4.C3H6/c7-5(8)3-1-2-4-6(9)10;5-3(6)1-2-4(7)8;1-3-2/h1-4H2,(H,7,8)(H,9,10);1-2H,(H,5,6)(H,7,8);3H,1H2,2H3/p-4/b;2-1+;