4-(4-aminophenyl)aniline; 1,3,4,5,6-pentakis(oxidanyl)hexan-2-one

Systemtic Name: 4-(4-aminophenyl)aniline; 1,3,4,5,6-pentakis(oxidanyl)hexan-2-one Openeye Name: benzidine; 1,3,4,5,6-pentahydroxyhexan-2-one CAS Name: 4-(4-aminophenyl)aniline; 1,3,4,5,6-pentahydroxy-2-hexanone IUPAC Name: 4-(4-aminophenyl)aniline; 1,3,4,5,6-pentahydroxyhexan-2-one Traditional Name: benzidine; 1,3,4,5,6-pentahydroxyhexan-2-one Formula: C30H36N4O6 MolecularWeight: 548.63004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(C=C2)N)N.C1=CC(=CC=C1C2=CC=C(C=C2)N)N.C(C(C(C(C(=O)CO)O)O)O)O

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)N)N.C1=CC(=CC=C1C2=CC=C(C=C2)N)N.C(C(C(C(C(=O)CO)O)O)O)O

InChI

InChI=1S/2C12H12N2.C6H12O6/c2*13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;7-1-3(9)5(11)6(12)4(10)2-8/h2*1-8H,13-14H2;3,5-9,11-12H,1-2H2