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zinc 2,7,12,17-tetrakis(4-methoxyphenyl)-3,8,13,18-tetranitro-porphyrin-22,24-diide

zinc 2,7,12,17-tetrakis(4-methoxyphenyl)-3,8,13,18-tetranitro-porphyrin-22,24-diide

Systemtic Name:zinc 2,7,12,17-tetrakis(4-methoxyphenyl)-3,8,13,18-tetranitro-porphyrin-22,24-diide
Openeye Name:zinc 2,7,12,17-tetrakis(4-methoxyphenyl)-3,8,13,18-tetranitro-porphyrin-22,24-diide
CAS Name:zinc 2,7,12,17-tetrakis(4-methoxyphenyl)-3,8,13,18-tetranitroporphyrin-22,24-diide
IUPAC Name:zinc 2,7,12,17-tetrakis(4-methoxyphenyl)-3,8,13,18-tetranitroporphyrin-22,24-diide
Traditional Name:zinc 2,7,12,17-tetrakis(4-methoxyphenyl)-3,8,13,18-tetranitro-porphine-22,24-diide
Formula: C48H32N8O12Zn
MolecularWeight: 978.22308
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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C3=CC4=NC(=CC5=C(C(=C([N-]5)C=C6C(=C(C(=N6)C=C2[N-]3)[N+](=O)[O-])C7=CC=C(C=C7)OC)[N+](=O)[O-])C8=CC=C(C=C8)OC)C(=C4C9=CC=C(C=C9)OC)[N+](=O)[O-])[N+](=O)[O-].[Zn+2]


Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C3=CC4=NC(=CC5=C(C(=C([N-]5)C=C6C(=C(C(=N6)C=C2[N-]3)[N+](=O)[O-])C7=CC=C(C=C7)OC)[N+](=O)[O-])C8=CC=C(C=C8)OC)C(=C4C9=CC=C(C=C9)OC)[N+](=O)[O-])[N+](=O)[O-].[Zn+2]


InChI

InChI=1S/C48H32N8O12.Zn/c1-65-29-13-5-25(6-14-29)41-33-21-38-46(54(59)60)43(27-9-17-31(67-3)18-10-27)35(50-38)23-40-48(56(63)64)44(28-11-19-32(68-4)20-12-28)36(52-40)24-39-47(55(61)62)42(26-7-15-30(66-2)16-8-26)34(51-39)22-37(49-33)45(41)53(57)58;/h5-24H,1-4H3;/q-2;+2


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