4-(4-aminophenyl)aniline; [3,3-bis(1-hydroxyethyl)-2H-benzo[a]anthracen-1-yl] carbonate

Systemtic Name: 4-(4-aminophenyl)aniline; [3,3-bis(1-hydroxyethyl)-2H-benzo[a]anthracen-1-yl] carbonate Openeye Name: benzidine; [3,3-bis(1-hydroxyethyl)-2H-benzo[a]anthracen-1-yl] carbonate CAS Name: 4-(4-aminophenyl)aniline; [3,3-bis(1-hydroxyethyl)-2H-benzo[a]anthracen-1-yl] carbonate IUPAC Name: 4-(4-aminophenyl)aniline; [3,3-bis(1-hydroxyethyl)-2H-benzo[a]anthracen-1-yl] carbonate Traditional Name: benzidine; [3,3-bis(1-hydroxyethyl)-2H-benz[a]anthracen-1-yl] carbonate Formula: C35H33N2O5- MolecularWeight: 561.64692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1(CC(=C2C(=C1)C=CC3=CC4=CC=CC=C4C=C32)OC(=O)[O-])C(C)O)O.C1=CC(=CC=C1C2=CC=C(C=C2)N)N

Isomeric SMILES

CC(C1(CC(=C2C(=C1)C=CC3=CC4=CC=CC=C4C=C32)OC(=O)[O-])C(C)O)O.C1=CC(=CC=C1C2=CC=C(C=C2)N)N

InChI

InChI=1S/C23H22O5.C12H12N2/c1-13(24)23(14(2)25)11-18-8-7-17-9-15-5-3-4-6-16(15)10-19(17)21(18)20(12-23)28-22(26)27;13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h3-11,13-14,24-25H,12H2,1-2H3,(H,26,27);1-8H,13-14H2/p-1