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

Systemtic Name: (E)-but-2-enedioate; phthalate; prop-1-ene Openeye Name: (E)-but-2-enedioate; phthalate; prop-1-ene CAS Name: (E)-2-butenedioate; phthalate; 1-propene IUPAC Name: (E)-but-2-enedioate; phthalate; prop-1-ene Traditional Name: phthalate; prop-1-ene; fumarate Formula: C15H12O8-4 MolecularWeight: 320.25098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=C.C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-].C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC=C.C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-].C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C8H6O4.C4H4O4.C3H6/c9-7(10)5-3-1-2-4-6(5)8(11)12;5-3(6)1-2-4(7)8;1-3-2/h1-4H,(H,9,10)(H,11,12);1-2H,(H,5,6)(H,7,8);3H,1H2,2H3/p-4/b;2-1+;