copper (1Z,4S,5S,9Z,15Z)-13,17-diethyl-2,3,7,8,12,18-hexamethyl-5-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-5H-porphyrin-21,23-diide

Systemtic Name: copper (1Z,4S,5S,9Z,15Z)-13,17-diethyl-2,3,7,8,12,18-hexamethyl-5-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-5H-porphyrin-21,23-diide Openeye Name: copper (1Z,4S,5S,9Z,15Z)-13,17-diethyl-2,3,7,8,12,18-hexamethyl-5-(p-tolyl)-4-(p-tolylmethyl)-5H-porphyrin-21,23-diide CAS Name: copper (1Z,4S,5S,9Z,15Z)-13,17-diethyl-2,3,7,8,12,18-hexamethyl-5-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-5H-porphyrin-21,23-diide IUPAC Name: copper (1Z,4S,5S,9Z,15Z)-13,17-diethyl-2,3,7,8,12,18-hexamethyl-5-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-5H-porphyrin-21,23-diide Traditional Name: cupric (1Z,4S,5S,9Z,15Z)-13,17-diethyl-2,3,7,8,12,18-hexamethyl-4-(4-methylbenzyl)-5-(p-tolyl)-5H-porphine-21,23-diide Formula: C45H48CuN4 MolecularWeight: 708.43542

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C=C3C(=C(C(=N3)C=C4C(=C(C([N-]4)(C(C5=NC(=CC(=C1C)[N-]2)C(=C5C)C)C6=CC=C(C=C6)C)CC7=CC=C(C=C7)C)C)C)C)CC.[Cu+2]

Isomeric SMILES

CCC1=C2/C=C\3/C(=C(C(=N3)/C=C\4/C(=C([C@@]([N-]4)([C@@H](C5=N/C(=C\C(=C1C)[N-]2)/C(=C5C)C)C6=CC=C(C=C6)C)CC7=CC=C(C=C7)C)C)C)C)CC.[Cu+2]

InChI

InChI=1S/C45H48N4.Cu/c1-11-35-30(8)38-21-37-27(5)28(6)44(48-37)43(34-19-15-26(4)16-20-34)45(24-33-17-13-25(3)14-18-33)32(10)29(7)40(49-45)22-39-31(9)36(12-2)42(47-39)23-41(35)46-38;/h13-23,43H,11-12,24H2,1-10H3;/q-2;+2/b37-21-,40-22-,42-23-;/t43-,45-;/m1./s1