[10,20-bis(3,5-ditert-butylphenyl)-21,22-dihydroporphyrin-2-yl]-chloranyl-mercury

Systemtic Name: [10,20-bis(3,5-ditert-butylphenyl)-21,22-dihydroporphyrin-2-yl]-chloranyl-mercury Openeye Name: [10,20-bis(3,5-ditert-butylphenyl)-21,22-dihydroporphyrin-2-yl]-chloro-mercury CAS Name: [10,20-bis(3,5-ditert-butylphenyl)-21,22-dihydroporphyrin-2-yl]-chloromercury IUPAC Name: [10,20-bis(3,5-ditert-butylphenyl)-21,22-dihydroporphyrin-2-yl]-chloromercury Traditional Name: [10,20-bis(3,5-ditert-butylphenyl)-21,22-dihydroporphin-2-yl]-chloro-mercury Formula: C48H53ClHgN4 MolecularWeight: 922.00422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C2=C3C=CC(=CC4=CC(=C(N4)C(=C5C=CC(=N5)C=C6C=CC2=N6)C7=CC(=CC(=C7)C(C)(C)C)C(C)(C)C)[Hg]Cl)N3)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C2=C3C=CC(=CC4=CC(=C(N4)C(=C5C=CC(=N5)C=C6C=CC2=N6)C7=CC(=CC(=C7)C(C)(C)C)C(C)(C)C)[Hg]Cl)N3)C(C)(C)C

InChI

InChI=1S/C48H53N4.ClH.Hg/c1-45(2,3)31-21-29(22-32(25-31)46(4,5)6)43-39-17-13-35(49-39)27-37-15-19-41(51-37)44(42-20-16-38(52-42)28-36-14-18-40(43)50-36)30-23-33(47(7,8)9)26-34(24-30)48(10,11)12;;/h13-19,21-28,50,52H,1-12H3;1H;/q;;+1/p-1