zinc 2-(10,20-diphenylporphyrin-22,24-diid-5-yl)-4-oxidanyl-4-phenyl-3-propan-2-yloxy-cyclobut-2-en-1-one

Systemtic Name: zinc 2-(10,20-diphenylporphyrin-22,24-diid-5-yl)-4-oxidanyl-4-phenyl-3-propan-2-yloxy-cyclobut-2-en-1-one Openeye Name: zinc 2-(10,20-diphenylporphyrin-22,24-diid-5-yl)-4-hydroxy-3-isopropoxy-4-phenyl-cyclobut-2-en-1-one CAS Name: zinc 2-(10,20-diphenyl-5-porphyrin-22,24-diidyl)-4-hydroxy-4-phenyl-3-propan-2-yloxy-1-cyclobut-2-enone IUPAC Name: zinc 2-(10,20-diphenylporphyrin-22,24-diid-5-yl)-4-hydroxy-4-phenyl-3-propan-2-yloxycyclobut-2-en-1-one Traditional Name: zinc 2-(10,20-diphenylporphine-22,24-diid-5-yl)-4-hydroxy-3-isopropoxy-4-phenyl-cyclobut-2-en-1-one Formula: C45H32N4O3Zn MolecularWeight: 742.16958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C(=O)C1(C2=CC=CC=C2)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)C1(C2=CC=CC=C2)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/c1-27(2)52-44-42(43(50)45(44,51)30-16-10-5-11-17-30)41-37-24-22-35(48-37)39(28-12-6-3-7-13-28)33-20-18-31(46-33)26-32-19-21-34(47-32)40(29-14-8-4-9-15-29)36-23-25-38(41)49-36;/h3-27,51H,1-2H3;/q-2;+2