1-(10,20-dihexylporphyrin-21,22-diid-5-yl)propan-1-ol; nickel(2+)

Systemtic Name: 1-(10,20-dihexylporphyrin-21,22-diid-5-yl)propan-1-ol; nickel(2+) Openeye Name: nickelous 1-(10,20-dihexylporphyrin-21,22-diid-5-yl)propan-1-ol CAS Name: 1-(10,20-dihexyl-5-porphyrin-21,22-diidyl)-1-propanol; nickel(2+) IUPAC Name: 1-(10,20-dihexylporphyrin-21,22-diid-5-yl)propan-1-ol; nickel(2+) Traditional Name: nickelous 1-(10,20-dihexylporphine-21,22-diid-5-yl)propan-1-ol Formula: C35H42N4NiO MolecularWeight: 593.42758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C2C=CC(=C(C3=CC=C([N-]3)C(=C4C=CC(=N4)C=C5C=CC1=N5)CCCCCC)C(CC)O)[N-]2.[Ni+2]

Isomeric SMILES

CCCCCCC1=C2C=CC(=C(C3=CC=C([N-]3)C(=C4C=CC(=N4)C=C5C=CC1=N5)CCCCCC)C(CC)O)[N-]2.[Ni+2]

InChI

InChI=1S/C35H42N4O.Ni/c1-4-7-9-11-13-26-28-17-15-24(36-28)23-25-16-18-29(37-25)27(14-12-10-8-5-2)31-20-22-33(39-31)35(34(40)6-3)32-21-19-30(26)38-32;/h15-23,34,40H,4-14H2,1-3H3;/q-2;+2