(E)-methoxy-(3,7,12,18-tetraethyl-2,8,13,17-tetramethyl-15-phenyl-porphyrin-22-id-5-ylidene)methanolate; nickel(2+)

Systemtic Name: (E)-methoxy-(3,7,12,18-tetraethyl-2,8,13,17-tetramethyl-15-phenyl-porphyrin-22-id-5-ylidene)methanolate; nickel(2+) Openeye Name: nickelous (E)-methoxy-(3,7,12,18-tetraethyl-2,8,13,17-tetramethyl-15-phenyl-porphyrin-22-id-5-ylidene)methanolate CAS Name: (E)-methoxy-(3,7,12,18-tetraethyl-2,8,13,17-tetramethyl-15-phenyl-5-porphyrin-22-idylidene)methanolate; nickel(2+) IUPAC Name: (E)-methoxy-(3,7,12,18-tetraethyl-2,8,13,17-tetramethyl-15-phenylporphyrin-22-id-5-ylidene)methanolate; nickel(2+) Traditional Name: nickelous (E)-methoxy-(3,7,12,18-tetraethyl-2,8,13,17-tetramethyl-15-phenyl-porphin-22-id-5-ylidene)methanolate Formula: C40H42N4NiO2 MolecularWeight: 669.48048

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC3=NC(=C(C4=NC(=CC5=C(C(=C([N-]5)C(=C([O-])OC)C1=N2)CC)C)C(=C4C)CC)C6=CC=CC=C6)C(=C3CC)C)C.[Ni+2]

Isomeric SMILES

CCC1=C(C2=CC3=NC(=C(C4=NC(=CC5=C(C(=C([N-]5)/C(=C(/[O-])\OC)/C1=N2)CC)C)C(=C4C)CC)C6=CC=CC=C6)C(=C3CC)C)C.[Ni+2]

InChI

InChI=1S/C40H43N4O2.Ni/c1-10-26-23(7)36-34(25-17-15-14-16-18-25)37-24(8)27(11-2)33(44-37)20-31-22(6)29(13-4)39(42-31)35(40(45)46-9)38-28(12-3)21(5)30(41-38)19-32(26)43-36;/h14-20H,10-13H2,1-9H3,(H-,41,42,43,44,45);/q-1;+2/p-1