zinc 1-(3-triethoxysilylpropyl)-3-[4-[10,15,20-tris[4-(3-triethoxysilylpropylcarbamoylamino)phenyl]porphyrin-22,24-diid-5-yl]phenyl]urea

Systemtic Name: zinc 1-(3-triethoxysilylpropyl)-3-[4-[10,15,20-tris[4-(3-triethoxysilylpropylcarbamoylamino)phenyl]porphyrin-22,24-diid-5-yl]phenyl]urea Openeye Name: zinc 1-(3-triethoxysilylpropyl)-3-[4-[10,15,20-tris[4-(3-triethoxysilylpropylcarbamoylamino)phenyl]porphyrin-22,24-diid-5-yl]phenyl]urea CAS Name: zinc 1-(3-triethoxysilylpropyl)-3-[4-[10,15,20-tris[4-[[oxo-(3-triethoxysilylpropylamino)methyl]amino]phenyl]-5-porphyrin-22,24-diidyl]phenyl]urea IUPAC Name: zinc 1-(3-triethoxysilylpropyl)-3-[4-[10,15,20-tris[4-(3-triethoxysilylpropylcarbamoylamino)phenyl]porphyrin-22,24-diid-5-yl]phenyl]urea Traditional Name: zinc 1-(3-triethoxysilylpropyl)-3-[4-[10,15,20-tris[4-(3-triethoxysilylpropylcarbamoylamino)phenyl]porphine-22,24-diid-5-yl]phenyl]urea Formula: C84H116N12O16Si4Zn MolecularWeight: 1727.64164

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Descriptors Computed from Structure

Canonical SMILES:

CCO[Si](CCCNC(=O)NC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=C(C=C7)NC(=O)NCCC[Si](OCC)(OCC)OCC)C8=CC=C(C=C8)NC(=O)NCCC[Si](OCC)(OCC)OCC)C=C4)C9=CC=C(C=C9)NC(=O)NCCC[Si](OCC)(OCC)OCC)[N-]3)(OCC)OCC.[Zn+2]

Isomeric SMILES

CCO[Si](CCCNC(=O)NC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=C(C=C7)NC(=O)NCCC[Si](OCC)(OCC)OCC)C8=CC=C(C=C8)NC(=O)NCCC[Si](OCC)(OCC)OCC)C=C4)C9=CC=C(C=C9)NC(=O)NCCC[Si](OCC)(OCC)OCC)[N-]3)(OCC)OCC.[Zn+2]

InChI

InChI=1S/C84H118N12O16Si4.Zn/c1-13-101-113(102-14-2,103-15-3)57-25-53-85-81(97)89-65-37-29-61(30-38-65)77-69-45-47-71(93-69)78(62-31-39-66(40-32-62)90-82(98)86-54-26-58-114(104-16-4,105-17-5)106-18-6)73-49-51-75(95-73)80(64-35-43-68(44-36-64)92-84(100)88-56-28-60-116(110-22-10,111-23-11)112-24-12)76-52-50-74(96-76)79(72-48-46-70(77)94-72)63-33-41-67(42-34-63)91-83(99)87-55-27-59-115(107-19-7,108-20-8)109-21-9;/h29-52H,13-28,53-60H2,1-12H3,(H10,85,86,87,88,89,90,91,92,93,94,95,96,97,98,99,100);/q;+2/p-2