(E)-2-phenylethenamine carbonate

Systemtic Name: (E)-2-phenylethenamine carbonate Openeye Name: (E)-2-phenylethenamine carbonate CAS Name: (E)-2-phenylethenamine carbonate IUPAC Name: (E)-2-phenylethenamine carbonate Traditional Name: [(E)-styryl]amine carbonate Formula: C17H18N2O3-2 MolecularWeight: 298.33642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C8H9N.CH2O3/c2*9-7-6-8-4-2-1-3-5-8;2-1(3)4/h2*1-7H,9H2;(H2,2,3,4)/p-2/b2*7-6+;