10,20-bis(3-methoxyphenyl)-15-(1,3,5-trithian-2-yl)-21,22-dihydroporphyrin

Systemtic Name: 10,20-bis(3-methoxyphenyl)-15-(1,3,5-trithian-2-yl)-21,22-dihydroporphyrin Openeye Name: 10,20-bis(3-methoxyphenyl)-15-(1,3,5-trithian-2-yl)-21,22-dihydroporphyrin CAS Name: 10,20-bis(3-methoxyphenyl)-15-(1,3,5-trithian-2-yl)-21,22-dihydroporphyrin IUPAC Name: 10,20-bis(3-methoxyphenyl)-15-(1,3,5-trithian-2-yl)-21,22-dihydroporphyrin Traditional Name: 10,20-bis(3-methoxyphenyl)-15-(1,3,5-trithian-2-yl)-21,22-dihydroporphine Formula: C37H30N4O2S3 MolecularWeight: 658.8547

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=C3C=CC(=CC4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7SCSCS7)C8=CC(=CC=C8)OC)N3

Isomeric SMILES

COC1=CC=CC(=C1)C2=C3C=CC(=CC4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7SCSCS7)C8=CC(=CC=C8)OC)N3

InChI

InChI=1S/C37H30N4O2S3/c1-42-26-7-3-5-22(17-26)34-28-11-9-24(38-28)19-25-10-12-29(39-25)35(23-6-4-8-27(18-23)43-2)31-14-16-33(41-31)36(32-15-13-30(34)40-32)37-45-20-44-21-46-37/h3-19,37-39H,20-21H2,1-2H3