4-[2,2,3-tris(4-sulfanylphenyl)-1-adamantyl]benzenethiol

Systemtic Name: 4-[2,2,3-tris(4-sulfanylphenyl)-1-adamantyl]benzenethiol Openeye Name: 4-[2,2,3-tris(4-sulfanylphenyl)-1-adamantyl]benzenethiol CAS Name: 4-[2,2,3-tris(4-mercaptophenyl)-1-adamantyl]benzenethiol IUPAC Name: 4-[2,2,3-tris(4-sulfanylphenyl)-1-adamantyl]benzenethiol Traditional Name: 4-[2,2,3-tris(4-mercaptophenyl)-1-adamantyl]benzenethiol Formula: C34H32S4 MolecularWeight: 568.87788

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3(C4=CC=C(C=C4)S)C5=CC=C(C=C5)S)C6=CC=C(C=C6)S)C7=CC=C(C=C7)S

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3(C4=CC=C(C=C4)S)C5=CC=C(C=C5)S)C6=CC=C(C=C6)S)C7=CC=C(C=C7)S

InChI

InChI=1S/C34H32S4/c35-28-9-1-24(2-10-28)32-18-22-17-23(19-32)21-33(20-22,25-3-11-29(36)12-4-25)34(32,26-5-13-30(37)14-6-26)27-7-15-31(38)16-8-27/h1-16,22-23,35-38H,17-21H2