(E)-but-2-enedioate; ethylbenzene

Systemtic Name: (E)-but-2-enedioate; ethylbenzene Openeye Name: (E)-but-2-enedioate; ethylbenzene CAS Name: (E)-2-butenedioate; ethylbenzene IUPAC Name: (E)-but-2-enedioate; ethylbenzene Traditional Name: ethylbenzene fumarate Formula: C12H12O4-2 MolecularWeight: 220.22128

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCC1=CC=CC=C1.C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C8H10.C4H4O4/c1-2-8-6-4-3-5-7-8;5-3(6)1-2-4(7)8/h3-7H,2H2,1H3;1-2H,(H,5,6)(H,7,8)/p-2/b;2-1+