(E)-(10,20-dihexylporphyrin-22-id-5-ylidene)methanolate; nickel(2+)

Systemtic Name: (E)-(10,20-dihexylporphyrin-22-id-5-ylidene)methanolate; nickel(2+) Openeye Name: nickelous (E)-(10,20-dihexylporphyrin-22-id-5-ylidene)methanolate CAS Name: (E)-(10,20-dihexyl-5-porphyrin-22-idylidene)methanolate; nickel(2+) IUPAC Name: (E)-(10,20-dihexylporphyrin-22-id-5-ylidene)methanolate; nickel(2+) Traditional Name: nickelous (E)-(10,20-dihexylporphin-22-id-5-ylidene)methanolate Formula: C33H36N4NiO MolecularWeight: 563.35854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C2C=CC(=N2)C=C3C=CC(=N3)C(=C4C=CC(=N4)C(=C[O-])C5=CC=C1[N-]5)CCCCCC.[Ni+2]

Isomeric SMILES

CCCCCCC1=C2C=CC(=N2)C=C3C=CC(=N3)C(=C4C=CC(=N4)/C(=C/[O-])/C5=CC=C1[N-]5)CCCCCC.[Ni+2]

InChI

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