7-iodanylbicyclo[4.2.0]octa-1,3,5-triene; 2-phenylethanamine

Systemtic Name: 7-iodanylbicyclo[4.2.0]octa-1,3,5-triene; 2-phenylethanamine Openeye Name: 7-iodobicyclo[4.2.0]octa-1,3,5-triene; 2-phenylethanamine CAS Name: 7-iodobicyclo[4.2.0]octa-1,3,5-triene; 2-phenylethanamine IUPAC Name: 7-iodobicyclo[4.2.0]octa-1,3,5-triene; 2-phenylethanamine Traditional Name: 7-iodobicyclo[4.2.0]octa-1,3,5-triene; phenethylamine Formula: C16H18IN MolecularWeight: 351.22529

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=CC=CC=C21)I.C1=CC=C(C=C1)CCN

Isomeric SMILES

C1C(C2=CC=CC=C21)I.C1=CC=C(C=C1)CCN

InChI

InChI=1S/C8H7I.C8H11N/c9-8-5-6-3-1-2-4-7(6)8;9-7-6-8-4-2-1-3-5-8/h1-4,8H,5H2;1-5H,6-7,9H2