15-(4-methoxyphenyl)sulfanyl-10,20-diphenyl-21,22-dihydroporphyrin

Systemtic Name: 15-(4-methoxyphenyl)sulfanyl-10,20-diphenyl-21,22-dihydroporphyrin Openeye Name: 15-(4-methoxyphenyl)sulfanyl-10,20-diphenyl-21,22-dihydroporphyrin CAS Name: 15-[(4-methoxyphenyl)thio]-10,20-diphenyl-21,22-dihydroporphyrin IUPAC Name: 15-(4-methoxyphenyl)sulfanyl-10,20-diphenyl-21,22-dihydroporphyrin Traditional Name: 15-[(4-methoxyphenyl)thio]-10,20-diphenyl-21,22-dihydroporphine Formula: C39H28N4OS MolecularWeight: 600.73082

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SC2=C3C=CC(=N3)C(=C4C=CC(=CC5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=CC=C7)N4)C8=CC=CC=C8

Isomeric SMILES

COC1=CC=C(C=C1)SC2=C3C=CC(=N3)C(=C4C=CC(=CC5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=CC=C7)N4)C8=CC=CC=C8

InChI

InChI=1S/C39H28N4OS/c1-44-29-14-16-30(17-15-29)45-39-35-22-20-33(42-35)37(25-8-4-2-5-9-25)31-18-12-27(40-31)24-28-13-19-32(41-28)38(26-10-6-3-7-11-26)34-21-23-36(39)43-34/h2-24,40-41H,1H3