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

Systemtic Name: 5-[4-nitro-3-(phenylsulfonylmethyl)phenyl]-10,15,20-triphenyl-21,22-dihydroporphyrin Openeye Name: 5-[3-(benzenesulfonylmethyl)-4-nitro-phenyl]-10,15,20-triphenyl-21,22-dihydroporphyrin CAS Name: 5-[3-(benzenesulfonylmethyl)-4-nitrophenyl]-10,15,20-triphenyl-21,22-dihydroporphyrin IUPAC Name: 5-[3-(benzenesulfonylmethyl)-4-nitrophenyl]-10,15,20-triphenyl-21,22-dihydroporphyrin Traditional Name: 5-[3-(besylmethyl)-4-nitro-phenyl]-10,15,20-triphenyl-21,22-dihydroporphine Formula: C51H35N5O4S MolecularWeight: 813.9197

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC(=C(C=C9)[N+](=O)[O-])CS(=O)(=O)C1=CC=CC=C1)N3

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC(=C(C=C9)[N+](=O)[O-])CS(=O)(=O)C1=CC=CC=C1)N3

InChI

InChI=1S/C51H35N5O4S/c57-56(58)47-30-21-36(31-37(47)32-61(59,60)38-19-11-4-12-20-38)51-45-28-26-43(54-45)49(34-15-7-2-8-16-34)41-24-22-39(52-41)48(33-13-5-1-6-14-33)40-23-25-42(53-40)50(35-17-9-3-10-18-35)44-27-29-46(51)55-44/h1-31,54-55H,32H2