nickel; 2,3,7,8,12-pentaethyl-13,17,18-trimethyl-porphyrin-21,23-diide

Systemtic Name: nickel; 2,3,7,8,12-pentaethyl-13,17,18-trimethyl-porphyrin-21,23-diide Openeye Name: nickel; 2,3,7,8,12-pentaethyl-13,17,18-trimethyl-porphyrin-21,23-diide CAS Name: nickel; 2,3,7,8,12-pentaethyl-13,17,18-trimethylporphyrin-21,23-diide IUPAC Name: nickel; 2,3,7,8,12-pentaethyl-13,17,18-trimethylporphyrin-21,23-diide Traditional Name: nickel; 2,3,7,8,12-pentaethyl-13,17,18-trimethyl-porphine-21,23-diide Formula: C33H38N4Ni-2 MolecularWeight: 549.37502

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)CC)CC)CC)CC)C(=C3C)C)C.[Ni]

Isomeric SMILES

CCC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)CC)CC)CC)CC)C(=C3C)C)C.[Ni]

InChI

InChI=1S/C33H38N4.Ni/c1-9-21-20(8)28-14-26-18(6)19(7)27(34-26)15-30-22(10-2)23(11-3)32(36-30)17-33-25(13-5)24(12-4)31(37-33)16-29(21)35-28;/h14-17H,9-13H2,1-8H3;/q-2;