zinc 5-(13,17-diethyl-2,3,7,8,12,18-hexamethyl-porphyrin-21,22-diid-5-yl)-9,9-dimethyl-xanthene-4-carbaldehyde

Systemtic Name: zinc 5-(13,17-diethyl-2,3,7,8,12,18-hexamethyl-porphyrin-21,22-diid-5-yl)-9,9-dimethyl-xanthene-4-carbaldehyde Openeye Name: zinc 5-(13,17-diethyl-2,3,7,8,12,18-hexamethyl-porphyrin-21,22-diid-5-yl)-9,9-dimethyl-xanthene-4-carbaldehyde CAS Name: zinc 5-(13,17-diethyl-2,3,7,8,12,18-hexamethyl-5-porphyrin-21,22-diidyl)-9,9-dimethyl-4-xanthenecarboxaldehyde IUPAC Name: zinc 5-(13,17-diethyl-2,3,7,8,12,18-hexamethylporphyrin-21,22-diid-5-yl)-9,9-dimethylxanthene-4-carbaldehyde Traditional Name: zinc 5-(13,17-diethyl-2,3,7,8,12,18-hexamethyl-porphine-21,22-diid-5-yl)-9,9-dimethyl-xanthene-4-carbaldehyde Formula: C46H44N4O2Zn MolecularWeight: 750.27616

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC3=C(C(=C([N-]3)C(=C4C(=C(C(=CC5=NC(=CC1=N2)C(=C5C)CC)[N-]4)C)C)C6=C7C(=CC=C6)C(C8=CC=CC(=C8O7)C=O)(C)C)C)C)C.[Zn+2]

Isomeric SMILES

CCC1=C(C2=CC3=C(C(=C([N-]3)C(=C4C(=C(C(=CC5=NC(=CC1=N2)C(=C5C)CC)[N-]4)C)C)C6=C7C(=CC=C6)C(C8=CC=CC(=C8O7)C=O)(C)C)C)C)C.[Zn+2]

InChI

InChI=1S/C46H44N4O2.Zn/c1-11-30-27(7)37-19-35-23(3)25(5)42(49-35)41(32-16-14-18-34-45(32)52-44-29(22-51)15-13-17-33(44)46(34,9)10)43-26(6)24(4)36(50-43)20-38-28(8)31(12-2)40(48-38)21-39(30)47-37;/h13-22H,11-12H2,1-10H3;/q-2;+2