zinc 3-(2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diid-5-yl)pentane-2,4-dione

Systemtic Name: zinc 3-(2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diid-5-yl)pentane-2,4-dione Openeye Name: zinc 3-(2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diid-5-yl)pentane-2,4-dione CAS Name: zinc 3-(2,3,7,8,12,13,17,18-octaethyl-5-porphyrin-22,24-diidyl)pentane-2,4-dione IUPAC Name: zinc 3-(2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diid-5-yl)pentane-2,4-dione Traditional Name: zinc 3-(2,3,7,8,12,13,17,18-octaethylporphine-22,24-diid-5-yl)pentane-2,4-dione Formula: C41H50N4O2Zn MolecularWeight: 696.2703

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC3=NC(=C(C4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)CC)CC)CC)CC)C(C(=O)C)C(=O)C)C(=C3CC)CC)CC.[Zn+2]

Isomeric SMILES

CCC1=C(C2=CC3=NC(=C(C4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)CC)CC)CC)CC)C(C(=O)C)C(=O)C)C(=C3CC)CC)CC.[Zn+2]

InChI

InChI=1S/C41H50N4O2.Zn/c1-11-24-26(13-3)34-20-36-28(15-5)30(17-7)40(44-36)39(38(22(9)46)23(10)47)41-31(18-8)29(16-6)37(45-41)21-35-27(14-4)25(12-2)33(43-35)19-32(24)42-34;/h19-21,38H,11-18H2,1-10H3;/q-2;+2