zinc 2-[4-[2-[4-[15-(3,5-ditert-butylphenyl)-2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-porphyrin-21,22-diid-5-yl]phenyl]ethynyl]phenyl]ethynyl-tri(propan-2-yl)silane

Systemtic Name: zinc 2-[4-[2-[4-[15-(3,5-ditert-butylphenyl)-2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-porphyrin-21,22-diid-5-yl]phenyl]ethynyl]phenyl]ethynyl-tri(propan-2-yl)silane Openeye Name: zinc 2-[4-[2-[4-[15-(3,5-ditert-butylphenyl)-2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-porphyrin-21,22-diid-5-yl]phenyl]ethynyl]phenyl]ethynyl-triisopropyl-silane CAS Name: zinc 2-[4-[2-[4-[15-(3,5-ditert-butylphenyl)-2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-5-porphyrin-21,22-diidyl]phenyl]ethynyl]phenyl]ethynyl-tri(propan-2-yl)silane IUPAC Name: zinc 2-[4-[2-[4-[15-(3,5-ditert-butylphenyl)-2,8,12,18-tetraethyl-3,7,13,17-tetramethylporphyrin-21,22-diid-5-yl]phenyl]ethynyl]phenyl]ethynyl-tri(propan-2-yl)silane Traditional Name: zinc 2-[4-[2-[4-[15-(3,5-ditert-butylphenyl)-2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-porphine-21,22-diid-5-yl]phenyl]ethynyl]phenyl]ethynyl-triisopropyl-silane Formula: C71H84N4SiZn MolecularWeight: 1086.94796

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C(=C5C(=C(C(=N5)C=C1[N-]2)CC)C)C6=CC(=CC(=C6)C(C)(C)C)C(C)(C)C)C)CC)CC)C)C7=CC=C(C=C7)C#CC8=CC=C(C=C8)C#C[Si](C(C)C)(C(C)C)C(C)C)C.[Zn+2]

Isomeric SMILES

CCC1=C(C2=C(C3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C(=C5C(=C(C(=N5)C=C1[N-]2)CC)C)C6=CC(=CC(=C6)C(C)(C)C)C(C)(C)C)C)CC)CC)C)C7=CC=C(C=C7)C#CC8=CC=C(C=C8)C#C[Si](C(C)C)(C(C)C)C(C)C)C.[Zn+2]

InChI

InChI=1S/C71H84N4Si.Zn/c1-21-56-45(11)66-64(52-33-31-50(32-34-52)26-25-49-27-29-51(30-28-49)35-36-76(42(5)6,43(7)8)44(9)10)67-46(12)57(22-2)61(73-67)41-63-59(24-4)48(14)69(75-63)65(68-47(13)58(23-3)62(74-68)40-60(56)72-66)53-37-54(70(15,16)17)39-55(38-53)71(18,19)20;/h27-34,37-44H,21-24H2,1-20H3;/q-2;+2