ethenylbenzene; (E)-2-pentan-3-ylbut-2-enedioate

Systemtic Name: ethenylbenzene; (E)-2-pentan-3-ylbut-2-enedioate Openeye Name: (E)-2-(1-ethylpropyl)but-2-enedioate; styrene CAS Name: (E)-2-pentan-3-yl-2-butenedioate; styrene IUPAC Name: (E)-2-pentan-3-ylbut-2-enedioate; styrene Traditional Name: (E)-2-(1-ethylpropyl)but-2-enedioate; styrene Formula: C17H20O4-2 MolecularWeight: 288.3383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=CC(=O)[O-])C(=O)[O-].C=CC1=CC=CC=C1

Isomeric SMILES

CCC(CC)/C(=C\C(=O)[O-])/C(=O)[O-].C=CC1=CC=CC=C1

InChI

InChI=1S/C9H14O4.C8H8/c1-3-6(4-2)7(9(12)13)5-8(10)11;1-2-8-6-4-3-5-7-8/h5-6H,3-4H2,1-2H3,(H,10,11)(H,12,13);2-7H,1H2/p-2/b7-5+;