nickel(2+); (Z,3E)-3-(3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-15-phenyl-porphyrin-22-id-5-ylidene)prop-1-en-1-olate

Systemtic Name: nickel(2+); (Z,3E)-3-(3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-15-phenyl-porphyrin-22-id-5-ylidene)prop-1-en-1-olate Openeye Name: nickelous (Z,3E)-3-(3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-15-phenyl-porphyrin-22-id-5-ylidene)prop-1-en-1-olate CAS Name: nickel(2+); (Z,3E)-3-(3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-15-phenyl-5-porphyrin-22-idylidene)-1-propen-1-olate IUPAC Name: nickel(2+); (Z,3E)-3-(3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-15-phenylporphyrin-22-id-5-ylidene)prop-1-en-1-olate Traditional Name: nickelous (Z,3E)-3-(3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-15-phenyl-porphin-22-id-5-ylidene)prop-1-en-1-olate Formula: C41H42N4NiO MolecularWeight: 665.49178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC3=C(C(=C([N-]3)C(=CC=C[O-])C4=NC(=CC5=NC(=C(C1=N2)C6=CC=CC=C6)C(=C5C)CC)C(=C4CC)C)CC)C)C.[Ni+2]

Isomeric SMILES

CCC1=C(C2=CC3=C(C(=C([N-]3)/C(=C\C=C/[O-])/C4=NC(=CC5=NC(=C(C1=N2)C6=CC=CC=C6)C(=C5C)CC)C(=C4CC)C)CC)C)C.[Ni+2]

InChI

InChI=1S/C41H43N4O.Ni/c1-9-28-23(5)33-21-35-25(7)30(11-3)40(44-35)37(27-17-14-13-15-18-27)41-31(12-4)26(8)36(45-41)22-34-24(6)29(10-2)39(43-34)32(19-16-20-46)38(28)42-33;/h13-22H,9-12H2,1-8H3,(H-,42,43,44,45,46);/q-1;+2/p-1