zinc 15-ethynyl-10,20-diheptyl-5-(1-methylimidazol-2-yl)-21,22-dihydroporphyrin

Systemtic Name: zinc 15-ethynyl-10,20-diheptyl-5-(1-methylimidazol-2-yl)-21,22-dihydroporphyrin Openeye Name: zinc 15-ethynyl-10,20-diheptyl-5-(1-methylimidazol-2-yl)-21,22-dihydroporphyrin CAS Name: zinc 15-ethynyl-10,20-diheptyl-5-(1-methyl-2-imidazolyl)-21,22-dihydroporphyrin IUPAC Name: zinc 15-ethynyl-10,20-diheptyl-5-(1-methylimidazol-2-yl)-21,22-dihydroporphyrin Traditional Name: zinc 15-ethynyl-10,20-diheptyl-5-(1-methylimidazol-2-yl)-21,22-dihydroporphine Formula: C40H46N6Zn+2 MolecularWeight: 676.24244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C2C=CC(=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC1=N5)C#C)CCCCCCC)C6=NC=CN6C)N2.[Zn+2]

Isomeric SMILES

CCCCCCCC1=C2C=CC(=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC1=N5)C#C)CCCCCCC)C6=NC=CN6C)N2.[Zn+2]

InChI

InChI=1S/C40H46N6.Zn/c1-5-8-10-12-14-16-29-33-20-18-31(42-33)28(7-3)32-19-21-34(43-32)30(17-15-13-11-9-6-2)36-23-25-38(45-36)39(37-24-22-35(29)44-37)40-41-26-27-46(40)4;/h3,18-27,44-45H,5-6,8-17H2,1-2,4H3;/q;+2