aniline; 4-phenylcyclohexa-3,5-diene-1,1,2,2-tetramine

Systemtic Name: aniline; 4-phenylcyclohexa-3,5-diene-1,1,2,2-tetramine Openeye Name: aniline; 4-phenylcyclohexa-3,5-diene-1,1,2,2-tetramine CAS Name: aniline; 4-phenylcyclohexa-3,5-diene-1,1,2,2-tetramine IUPAC Name: aniline; 4-phenylcyclohexa-3,5-diene-1,1,2,2-tetramine Traditional Name: phenylamine; (1,6,6-triamino-3-phenyl-cyclohexa-2,4-dien-1-yl)amine Formula: C18H23N5 MolecularWeight: 309.40872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(C(C=C2)(N)N)(N)N.C1=CC=C(C=C1)N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(C(C=C2)(N)N)(N)N.C1=CC=C(C=C1)N

InChI

InChI=1S/C12H16N4.C6H7N/c13-11(14)7-6-10(8-12(11,15)16)9-4-2-1-3-5-9;7-6-4-2-1-3-5-6/h1-8H,13-16H2;1-5H,7H2