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copper; 2,3,7,8,12,13,17,18-octamethyl-21H-porphyrin-23-ide

copper; 2,3,7,8,12,13,17,18-octamethyl-21H-porphyrin-23-ide

Systemtic Name:copper; 2,3,7,8,12,13,17,18-octamethyl-21H-porphyrin-23-ide
Openeye Name:copper; 2,3,7,8,12,13,17,18-octamethyl-21H-porphyrin-23-ide
CAS Name:copper; 2,3,7,8,12,13,17,18-octamethyl-21H-porphyrin-23-ide
IUPAC Name:copper; 2,3,7,8,12,13,17,18-octamethyl-21H-porphyrin-23-ide
Traditional Name:copper; 2,3,7,8,12,13,17,18-octamethyl-21H-porphin-23-ide
Formula: C28H29CuN4-
MolecularWeight: 485.10266
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC3=NC(=CC4=C(C(=C(N4)C=C5C(=C(C(=N5)C=C1[N-]2)C)C)C)C)C(=C3C)C)C.[Cu]


Isomeric SMILES

CC1=C(C2=CC3=NC(=CC4=C(C(=C(N4)C=C5C(=C(C(=N5)C=C1[N-]2)C)C)C)C)C(=C3C)C)C.[Cu]


InChI

InChI=1S/C28H29N4.Cu/c1-13-14(2)22-10-24-17(5)18(6)26(31-24)12-28-20(8)19(7)27(32-28)11-25-16(4)15(3)23(30-25)9-21(13)29-22;/h9-12,29H,1-8H3;/q-1;


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