5,15-bis(1,3-dithian-2-yl)-21,22-dihydroporphyrin

Systemtic Name: 5,15-bis(1,3-dithian-2-yl)-21,22-dihydroporphyrin Openeye Name: 5,15-bis(1,3-dithian-2-yl)-21,22-dihydroporphyrin CAS Name: 5,15-bis(1,3-dithian-2-yl)-21,22-dihydroporphyrin IUPAC Name: 5,15-bis(1,3-dithian-2-yl)-21,22-dihydroporphyrin Traditional Name: 5,15-bis(1,3-dithian-2-yl)-21,22-dihydroporphine Formula: C28H26N4S4 MolecularWeight: 546.79284

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(SC1)C2=C3C=CC(=CC4=NC(=C(C5=NC(=CC6=CC=C2N6)C=C5)C7SCCCS7)C=C4)N3

Isomeric SMILES

C1CSC(SC1)C2=C3C=CC(=CC4=NC(=C(C5=NC(=CC6=CC=C2N6)C=C5)C7SCCCS7)C=C4)N3

InChI

InChI=1S/C28H26N4S4/c1-11-33-27(34-12-1)25-21-7-3-17(29-21)15-19-5-9-23(31-19)26(28-35-13-2-14-36-28)24-10-6-20(32-24)16-18-4-8-22(25)30-18/h3-10,15-16,27-30H,1-2,11-14H2