zinc 2-(10,20-diphenylporphyrin-21,22-diid-5-yl)sulfanyl-1,3-benzothiazole

Systemtic Name: zinc 2-(10,20-diphenylporphyrin-21,22-diid-5-yl)sulfanyl-1,3-benzothiazole Openeye Name: zinc 2-(10,20-diphenylporphyrin-21,22-diid-5-yl)sulfanyl-1,3-benzothiazole CAS Name: zinc 2-[(10,20-diphenyl-5-porphyrin-21,22-diidyl)thio]-1,3-benzothiazole IUPAC Name: zinc 2-(10,20-diphenylporphyrin-21,22-diid-5-yl)sulfanyl-1,3-benzothiazole Traditional Name: zinc 2-[(10,20-diphenylporphine-21,22-diid-5-yl)thio]-1,3-benzothiazole Formula: C39H23N5S2Zn MolecularWeight: 691.17242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C=C6C=CC2=N6)C7=CC=CC=C7)SC8=NC9=CC=CC=C9S8)[N-]3.[Zn+2]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C=C6C=CC2=N6)C7=CC=CC=C7)SC8=NC9=CC=CC=C9S8)[N-]3.[Zn+2]

InChI

InChI=1S/C39H23N5S2.Zn/c1-3-9-24(10-4-1)36-29-17-15-26(40-29)23-27-16-18-30(41-27)37(25-11-5-2-6-12-25)32-20-22-34(43-32)38(33-21-19-31(36)42-33)46-39-44-28-13-7-8-14-35(28)45-39;/h1-23H;/q-2;+2