3-(5,10,15,20-tetraphenyl-21,22-dihydroporphyrin-2-yl)-2,3-dihydrothiophene 1,1-dioxide

Systemtic Name: 3-(5,10,15,20-tetraphenyl-21,22-dihydroporphyrin-2-yl)-2,3-dihydrothiophene 1,1-dioxide Openeye Name: 3-(5,10,15,20-tetraphenyl-21,22-dihydroporphyrin-2-yl)-2,3-dihydrothiophene 1,1-dioxide CAS Name: 3-(5,10,15,20-tetraphenyl-21,22-dihydroporphyrin-2-yl)-2,3-dihydrothiophene 1,1-dioxide IUPAC Name: 3-(5,10,15,20-tetraphenyl-21,22-dihydroporphyrin-2-yl)-2,3-dihydrothiophene 1,1-dioxide Traditional Name: 3-(5,10,15,20-tetraphenyl-21,22-dihydroporphin-2-yl)-2,3-dihydrothiophene 1,1-dioxide Formula: C48H34N4O2S MolecularWeight: 730.87416

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C=CS1(=O)=O)C2=C3C(=C4C=CC(=N4)C(=C5C=CC(=N5)C(=C6C=CC(=C(C(=C2)N3)C7=CC=CC=C7)N6)C8=CC=CC=C8)C9=CC=CC=C9)C1=CC=CC=C1

Isomeric SMILES

C1C(C=CS1(=O)=O)C2=C3C(=C4C=CC(=N4)C(=C5C=CC(=N5)C(=C6C=CC(=C(C(=C2)N3)C7=CC=CC=C7)N6)C8=CC=CC=C8)C9=CC=CC=C9)C1=CC=CC=C1

InChI

InChI=1S/C48H34N4O2S/c53-55(54)28-27-35(30-55)36-29-43-46(33-17-9-3-10-18-33)41-24-23-39(50-41)44(31-13-5-1-6-14-31)37-21-22-38(49-37)45(32-15-7-2-8-16-32)40-25-26-42(51-40)47(48(36)52-43)34-19-11-4-12-20-34/h1-29,35,50,52H,30H2