3,7-bis(3-bromanylpropyl)-2,8,12,17-tetramethyl-porphyrin-21,22-diide; cobalt(2+)

Systemtic Name: 3,7-bis(3-bromanylpropyl)-2,8,12,17-tetramethyl-porphyrin-21,22-diide; cobalt(2+) Openeye Name: cobaltous 3,7-bis(3-bromopropyl)-2,8,12,17-tetramethyl-porphyrin-21,22-diide CAS Name: 3,7-bis(3-bromopropyl)-2,8,12,17-tetramethylporphyrin-21,22-diide; cobalt(2+) IUPAC Name: 3,7-bis(3-bromopropyl)-2,8,12,17-tetramethylporphyrin-21,22-diide; cobalt(2+) Traditional Name: cobaltous 3,7-bis(3-bromopropyl)-2,8,12,17-tetramethyl-porphine-21,22-diide Formula: C30H30Br2CoN4 MolecularWeight: 665.3272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC1=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=C2)[N-]5)C)CCCBr)CCCBr)C)C(=C3)C.[Co+2]

Isomeric SMILES

CC1=CC2=NC1=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=C2)[N-]5)C)CCCBr)CCCBr)C)C(=C3)C.[Co+2]

InChI

InChI=1S/C30H30Br2N4.Co/c1-17-11-22-14-27-19(3)23(7-5-9-31)29(35-27)16-30-24(8-6-10-32)20(4)28(36-30)15-26-18(2)12-21(34-26)13-25(17)33-22;/h11-16H,5-10H2,1-4H3;/q-2;+2