1-(benzotriazol-1-yl)-3-(2,3-diphenylbenzo[g]indol-1-yl)propan-2-ol; ethanedioic acid

Systemtic Name: 1-(benzotriazol-1-yl)-3-(2,3-diphenylbenzo[g]indol-1-yl)propan-2-ol; ethanedioic acid Openeye Name: 1-(benzotriazol-1-yl)-3-(2,3-diphenylbenzo[g]indol-1-yl)propan-2-ol; oxalic acid CAS Name: 1-(1-benzotriazolyl)-3-(2,3-diphenyl-1-benzo[g]indolyl)-2-propanol; oxalic acid IUPAC Name: 1-(benzotriazol-1-yl)-3-(2,3-diphenylbenzo[g]indol-1-yl)propan-2-ol; oxalic acid Traditional Name: 1-(benzotriazol-1-yl)-3-(2,3-diphenylbenz[g]indol-1-yl)propan-2-ol; oxalic acid Formula: C35H28N4O5 MolecularWeight: 584.62062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N(C3=C2C=CC4=CC=CC=C43)CC(CN5C6=CC=CC=C6N=N5)O)C7=CC=CC=C7.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N(C3=C2C=CC4=CC=CC=C43)CC(CN5C6=CC=CC=C6N=N5)O)C7=CC=CC=C7.C(=O)(C(=O)O)O

InChI

InChI=1S/C33H26N4O.C2H2O4/c38-26(22-37-30-18-10-9-17-29(30)34-35-37)21-36-32(25-14-5-2-6-15-25)31(24-12-3-1-4-13-24)28-20-19-23-11-7-8-16-27(23)33(28)36;3-1(4)2(5)6/h1-20,26,38H,21-22H2;(H,3,4)(H,5,6)