20-bromanyl-2,3,10,12,13,15,17,18-octaethyl-21,22-dihydroporphyrin

Systemtic Name: 20-bromanyl-2,3,10,12,13,15,17,18-octaethyl-21,22-dihydroporphyrin Openeye Name: 20-bromo-2,3,10,12,13,15,17,18-octaethyl-21,22-dihydroporphyrin CAS Name: 20-bromo-2,3,10,12,13,15,17,18-octaethyl-21,22-dihydroporphyrin IUPAC Name: 20-bromo-2,3,10,12,13,15,17,18-octaethyl-21,22-dihydroporphyrin Traditional Name: 20-bromo-2,3,10,12,13,15,17,18-octaethyl-21,22-dihydroporphine Formula: C36H45BrN4 MolecularWeight: 613.6733

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C=CC(=CC3=C(C(=C(N3)C(=C4C(=C(C(=N4)C(=C5C(=C(C1=N5)CC)CC)CC)CC)CC)Br)CC)CC)N2

Isomeric SMILES

CCC1=C2C=CC(=CC3=C(C(=C(N3)C(=C4C(=C(C(=N4)C(=C5C(=C(C1=N5)CC)CC)CC)CC)CC)Br)CC)CC)N2

InChI

InChI=1S/C36H45BrN4/c1-9-21-22(10-2)35-31(37)36-26(14-6)25(13-5)34(41-36)28(16-8)33-24(12-4)23(11-3)32(40-33)27(15-7)29-18-17-20(38-29)19-30(21)39-35/h17-19,38-39H,9-16H2,1-8H3