copper 2-bromanyl-3,7,8,12,13,17,18-heptaethyl-porphyrin-22,24-diide

Systemtic Name: copper 2-bromanyl-3,7,8,12,13,17,18-heptaethyl-porphyrin-22,24-diide Openeye Name: copper 2-bromo-3,7,8,12,13,17,18-heptaethyl-porphyrin-22,24-diide CAS Name: copper 2-bromo-3,7,8,12,13,17,18-heptaethylporphyrin-22,24-diide IUPAC Name: copper 2-bromo-3,7,8,12,13,17,18-heptaethylporphyrin-22,24-diide Traditional Name: cupric 2-bromo-3,7,8,12,13,17,18-heptaethyl-porphine-22,24-diide Formula: C34H39BrCuN4 MolecularWeight: 647.15026

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)CC)CC)CC)CC)C(=C3CC)Br)CC.[Cu+2]

Isomeric SMILES

CCC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)CC)CC)CC)CC)C(=C3CC)Br)CC.[Cu+2]

InChI

InChI=1S/C34H39BrN4.Cu/c1-8-19-20(9-2)27-16-29-23(12-5)24(13-6)31(38-29)18-33-34(35)25(14-7)32(39-33)17-30-22(11-4)21(10-3)28(37-30)15-26(19)36-27;/h15-18H,8-14H2,1-7H3;/q-2;+2