zinc 2-(10,20-diphenylporphyrin-22,24-diid-5-yl)-3-propan-2-yloxy-naphthalene-1,4-dione

Systemtic Name: zinc 2-(10,20-diphenylporphyrin-22,24-diid-5-yl)-3-propan-2-yloxy-naphthalene-1,4-dione Openeye Name: zinc 2-(10,20-diphenylporphyrin-22,24-diid-5-yl)-3-isopropoxy-naphthalene-1,4-dione CAS Name: zinc 2-(10,20-diphenyl-5-porphyrin-22,24-diidyl)-3-propan-2-yloxynaphthalene-1,4-dione IUPAC Name: zinc 2-(10,20-diphenylporphyrin-22,24-diid-5-yl)-3-propan-2-yloxynaphthalene-1,4-dione Traditional Name: zinc 2-(10,20-diphenylporphine-22,24-diid-5-yl)-3-isopropoxy-1,4-naphthoquinone Formula: C45H30N4O3Zn MolecularWeight: 740.1537

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C(=O)C2=CC=CC=C2C1=O)C3=C4C=CC(=N4)C(=C5C=CC(=CC6=NC(=C(C7=CC=C3[N-]7)C8=CC=CC=C8)C=C6)[N-]5)C9=CC=CC=C9.[Zn+2]

Isomeric SMILES

CC(C)OC1=C(C(=O)C2=CC=CC=C2C1=O)C3=C4C=CC(=N4)C(=C5C=CC(=CC6=NC(=C(C7=CC=C3[N-]7)C8=CC=CC=C8)C=C6)[N-]5)C9=CC=CC=C9.[Zn+2]

InChI

InChI=1S/C45H32N4O3.Zn/c1-26(2)52-45-42(43(50)31-15-9-10-16-32(31)44(45)51)41-37-23-21-35(48-37)39(27-11-5-3-6-12-27)33-19-17-29(46-33)25-30-18-20-34(47-30)40(28-13-7-4-8-14-28)36-22-24-38(41)49-36;/h3-26H,1-2H3,(H2,46,47,48,49,50,51);/q;+2/p-2