(10,20-dihexylporphyrin-21,22-diid-5-yl)-phenyl-methanol; nickel(2+)

Systemtic Name: (10,20-dihexylporphyrin-21,22-diid-5-yl)-phenyl-methanol; nickel(2+) Openeye Name: nickelous (10,20-dihexylporphyrin-21,22-diid-5-yl)-phenyl-methanol CAS Name: (10,20-dihexyl-5-porphyrin-21,22-diidyl)-phenylmethanol; nickel(2+) IUPAC Name: (10,20-dihexylporphyrin-21,22-diid-5-yl)-phenylmethanol; nickel(2+) Traditional Name: nickelous (10,20-dihexylporphine-21,22-diid-5-yl)-phenyl-methanol Formula: C39H42N4NiO MolecularWeight: 641.47038

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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(C6=CC=CC=C6)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(C6=CC=CC=C6)O)[N-]2.[Ni+2]

InChI

InChI=1S/C39H42N4O.Ni/c1-3-5-7-12-16-30-32-20-18-28(40-32)26-29-19-21-33(41-29)31(17-13-8-6-4-2)35-23-25-37(43-35)38(36-24-22-34(30)42-36)39(44)27-14-10-9-11-15-27;/h9-11,14-15,18-26,39,44H,3-8,12-13,16-17H2,1-2H3;/q-2;+2