zinc; carbon monoxide; chloranylrhenium; 2,8,12,18-tetrabutyl-3,7,13,17-tetramethyl-5,15-dipyridin-4-yl-porphyrin-21,22-diide

Systemtic Name: zinc; carbon monoxide; chloranylrhenium; 2,8,12,18-tetrabutyl-3,7,13,17-tetramethyl-5,15-dipyridin-4-yl-porphyrin-21,22-diide Openeye Name: zinc; carbon monoxide; chlororhenium; 2,8,12,18-tetrabutyl-3,7,13,17-tetramethyl-5,15-bis(4-pyridyl)porphyrin-21,22-diide CAS Name: zinc; carbon monoxide; chlororhenium; 2,8,12,18-tetrabutyl-3,7,13,17-tetramethyl-5,15-dipyridin-4-ylporphyrin-21,22-diide IUPAC Name: zinc; carbon monoxide; chlororhenium; 2,8,12,18-tetrabutyl-3,7,13,17-tetramethyl-5,15-dipyridin-4-ylporphyrin-21,22-diide Traditional Name: zinc; carbon monoxide; chlororhenium; 2,8,12,18-tetrabutyl-3,7,13,17-tetramethyl-5,15-bis(4-pyridyl)porphine-21,22-diide Formula: C53H58ClN6O3ReZn MolecularWeight: 1114.13502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C(C3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C(=C5C(=C(C(=N5)C=C1[N-]2)CCCC)C)C6=CC=NC=C6)C)CCCC)CCCC)C)C7=CC=NC=C7)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].Cl[Re].[Zn+2]

Isomeric SMILES

CCCCC1=C(C2=C(C3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C(=C5C(=C(C(=N5)C=C1[N-]2)CCCC)C)C6=CC=NC=C6)C)CCCC)CCCC)C)C7=CC=NC=C7)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].Cl[Re].[Zn+2]

InChI

InChI=1S/C50H58N6.3CO.ClH.Re.Zn/c1-9-13-17-37-31(5)47-45(35-21-25-51-26-22-35)48-33(7)39(19-15-11-3)43(55-48)30-44-40(20-16-12-4)34(8)50(56-44)46(36-23-27-52-28-24-36)49-32(6)38(18-14-10-2)42(54-49)29-41(37)53-47;3*1-2;;;/h21-30H,9-20H2,1-8H3;;;;1H;;/q-2;;;;;+1;+2/p-1