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

Systemtic Name: copper (1Z,4S,5S,9Z,15Z)-13,17-diethyl-2,3,4,7,8,12,18-heptamethyl-5-(4-methylphenyl)-5H-porphyrin-21,23-diide Openeye Name: copper (1Z,4S,5S,9Z,15Z)-13,17-diethyl-2,3,4,7,8,12,18-heptamethyl-5-(p-tolyl)-5H-porphyrin-21,23-diide CAS Name: copper (1Z,4S,5S,9Z,15Z)-13,17-diethyl-2,3,4,7,8,12,18-heptamethyl-5-(4-methylphenyl)-5H-porphyrin-21,23-diide IUPAC Name: copper (1Z,4S,5S,9Z,15Z)-13,17-diethyl-2,3,4,7,8,12,18-heptamethyl-5-(4-methylphenyl)-5H-porphyrin-21,23-diide Traditional Name: cupric (1Z,4S,5S,9Z,15Z)-13,17-diethyl-2,3,4,7,8,12,18-heptamethyl-5-(p-tolyl)-5H-porphine-21,23-diide Formula: C38H42CuN4 MolecularWeight: 618.31288

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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)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)C)C)C)C)CC.[Cu+2]

InChI

InChI=1S/C38H42N4.Cu/c1-11-28-24(7)31-17-30-21(4)22(5)37(41-30)36(27-15-13-20(3)14-16-27)38(10)26(9)23(6)33(42-38)18-32-25(8)29(12-2)35(40-32)19-34(28)39-31;/h13-19,36H,11-12H2,1-10H3;/q-2;+2/b30-17-,33-18-,35-19-;/t36-,38-;/m1./s1