zinc 5-[4-(anthracen-9-ylmethylsulfanyl)phenyl]-10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-22,24-diide

Systemtic Name: zinc 5-[4-(anthracen-9-ylmethylsulfanyl)phenyl]-10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-22,24-diide Openeye Name: zinc 5-[4-(9-anthrylmethylsulfanyl)phenyl]-10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-22,24-diide CAS Name: zinc 5-[4-(9-anthracenylmethylthio)phenyl]-10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-22,24-diide IUPAC Name: zinc 5-[4-(anthracen-9-ylmethylsulfanyl)phenyl]-10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-22,24-diide Traditional Name: zinc 5-[4-(9-anthrylmethylthio)phenyl]-10,15,20-trimesityl-porphine-22,24-diide Formula: C68H56N4SZn MolecularWeight: 1026.67304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=C(C=C(C=C7C)C)C)C8=C(C=C(C=C8C)C)C)C=C4)C9=CC=C(C=C9)SCC1=C2C=CC=CC2=CC2=CC=CC=C21)[N-]3)C.[Zn+2]

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=C(C=C(C=C7C)C)C)C8=C(C=C(C=C8C)C)C)C=C4)C9=CC=C(C=C9)SCC1=C2C=CC=CC2=CC2=CC=CC=C21)[N-]3)C.[Zn+2]

InChI

InChI=1S/C68H56N4S.Zn/c1-38-30-41(4)62(42(5)31-38)66-56-24-22-54(69-56)65(47-18-20-50(21-19-47)73-37-53-51-16-12-10-14-48(51)36-49-15-11-13-17-52(49)53)55-23-25-57(70-55)67(63-43(6)32-39(2)33-44(63)7)59-27-29-61(72-59)68(60-28-26-58(66)71-60)64-45(8)34-40(3)35-46(64)9;/h10-36H,37H2,1-9H3;/q-2;+2