5-[3-[1-(4-methylphenyl)sulfonylethyl]-4-nitro-phenyl]-10,15,20-triphenyl-21,22-dihydroporphyrin

Systemtic Name: 5-[3-[1-(4-methylphenyl)sulfonylethyl]-4-nitro-phenyl]-10,15,20-triphenyl-21,22-dihydroporphyrin Openeye Name: 5-[4-nitro-3-[1-(p-tolylsulfonyl)ethyl]phenyl]-10,15,20-triphenyl-21,22-dihydroporphyrin CAS Name: 5-[3-[1-(4-methylphenyl)sulfonylethyl]-4-nitrophenyl]-10,15,20-triphenyl-21,22-dihydroporphyrin IUPAC Name: 5-[3-[1-(4-methylphenyl)sulfonylethyl]-4-nitrophenyl]-10,15,20-triphenyl-21,22-dihydroporphyrin Traditional Name: 5-[4-nitro-3-(1-tosylethyl)phenyl]-10,15,20-triphenyl-21,22-dihydroporphine Formula: C53H39N5O4S MolecularWeight: 841.97286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(C)C2=C(C=CC(=C2)C3=C4C=CC(=C(C5=NC(=C(C6=NC(=C(C7=CC=C3N7)C8=CC=CC=C8)C=C6)C9=CC=CC=C9)C=C5)C1=CC=CC=C1)N4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(C)C2=C(C=CC(=C2)C3=C4C=CC(=C(C5=NC(=C(C6=NC(=C(C7=CC=C3N7)C8=CC=CC=C8)C=C6)C9=CC=CC=C9)C=C5)C1=CC=CC=C1)N4)[N+](=O)[O-]

InChI

InChI=1S/C53H39N5O4S/c1-33-18-21-39(22-19-33)63(61,62)34(2)40-32-38(20-31-49(40)58(59)60)53-47-29-27-45(56-47)51(36-14-8-4-9-15-36)43-25-23-41(54-43)50(35-12-6-3-7-13-35)42-24-26-44(55-42)52(37-16-10-5-11-17-37)46-28-30-48(53)57-46/h3-32,34,56-57H,1-2H3