nickel(2+); (E)-(2,7,13,17-tetraethyl-3,8,12,18-tetramethyl-porphyrin-22-id-5-ylidene)methanolate

Systemtic Name: nickel(2+); (E)-(2,7,13,17-tetraethyl-3,8,12,18-tetramethyl-porphyrin-22-id-5-ylidene)methanolate Openeye Name: nickelous (E)-(2,7,13,17-tetraethyl-3,8,12,18-tetramethyl-porphyrin-22-id-5-ylidene)methanolate CAS Name: nickel(2+); (E)-(2,7,13,17-tetraethyl-3,8,12,18-tetramethyl-5-porphyrin-22-idylidene)methanolate IUPAC Name: nickel(2+); (E)-(2,7,13,17-tetraethyl-3,8,12,18-tetramethylporphyrin-22-id-5-ylidene)methanolate Traditional Name: nickelous (E)-(2,7,13,17-tetraethyl-3,8,12,18-tetramethyl-porphin-22-id-5-ylidene)methanolate Formula: C33H36N4NiO MolecularWeight: 563.35854

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC3=C(C(=C([N-]3)C(=C[O-])C4=NC(=CC5=NC(=CC1=N2)C(=C5C)CC)C(=C4C)CC)CC)C)C.[Ni+2]

Isomeric SMILES

CCC1=C(C2=CC3=C(C(=C([N-]3)/C(=C\[O-])/C4=NC(=CC5=NC(=CC1=N2)C(=C5C)CC)C(=C4C)CC)CC)C)C.[Ni+2]

InChI

InChI=1S/C33H37N4O.Ni/c1-9-21-17(5)26-13-28-19(7)24(12-4)33(36-28)25(16-38)32-20(8)23(11-3)31(37-32)14-27-18(6)22(10-2)30(35-27)15-29(21)34-26;/h13-16H,9-12H2,1-8H3,(H-,34,35,36,37,38);/q-1;+2/p-1