S-[[10,20-bis(4-methylphenyl)-15-phenyl-23,24-dihydroporphyrin-5-yl]methyl] ethanethioate

Systemtic Name: S-[[10,20-bis(4-methylphenyl)-15-phenyl-23,24-dihydroporphyrin-5-yl]methyl] ethanethioate Openeye Name: S-[[15-phenyl-10,20-bis(p-tolyl)-23,24-dihydroporphyrin-5-yl]methyl] ethanethioate CAS Name: ethanethioic acid S-[[10,20-bis(4-methylphenyl)-15-phenyl-23,24-dihydroporphyrin-5-yl]methyl] ester IUPAC Name: S-[[10,20-bis(4-methylphenyl)-15-phenyl-23,24-dihydroporphyrin-5-yl]methyl] ethanethioate Traditional Name: ethanethioic acid S-[[15-phenyl-10,20-bis(p-tolyl)-23,24-dihydroporphin-5-yl]methyl] ester Formula: C43H34N4OS MolecularWeight: 654.82126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)CSC(=O)C)C7=CC=C(C=C7)C)C8=CC=CC=C8)N3

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)CSC(=O)C)C7=CC=C(C=C7)C)C8=CC=CC=C8)N3

InChI

InChI=1S/C43H34N4OS/c1-26-9-13-30(14-10-26)42-35-19-17-33(44-35)32(25-49-28(3)48)34-18-20-36(45-34)43(31-15-11-27(2)12-16-31)40-24-22-38(47-40)41(29-7-5-4-6-8-29)37-21-23-39(42)46-37/h4-24,46-47H,25H2,1-3H3