copper 2,18-diethyl-3,7,8,12,13,17-hexamethyl-porphyrin-22,24-diide

Systemtic Name: copper 2,18-diethyl-3,7,8,12,13,17-hexamethyl-porphyrin-22,24-diide Openeye Name: copper 2,18-diethyl-3,7,8,12,13,17-hexamethyl-porphyrin-22,24-diide CAS Name: copper 2,18-diethyl-3,7,8,12,13,17-hexamethylporphyrin-22,24-diide IUPAC Name: copper 2,18-diethyl-3,7,8,12,13,17-hexamethylporphyrin-22,24-diide Traditional Name: cupric 2,18-diethyl-3,7,8,12,13,17-hexamethyl-porphine-22,24-diide Formula: C30H32CuN4 MolecularWeight: 512.14788

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C=C3C(=C(C(=N3)C=C4C(=C(C(=CC5=NC(=CC(=C1C)[N-]2)C(=C5C)C)[N-]4)C)C)C)CC.[Cu+2]

Isomeric SMILES

CCC1=C2C=C3C(=C(C(=N3)C=C4C(=C(C(=CC5=NC(=CC(=C1C)[N-]2)C(=C5C)C)[N-]4)C)C)C)CC.[Cu+2]

InChI

InChI=1S/C30H32N4.Cu/c1-9-21-19(7)27-12-25-17(5)15(3)23(31-25)11-24-16(4)18(6)26(32-24)13-28-20(8)22(10-2)30(34-28)14-29(21)33-27;/h11-14H,9-10H2,1-8H3;/q-2;+2