9-(10-thioxanthen-10-ium-9-yldecyl)thioxanthen-10-ium diperchlorate

Systemtic Name: 9-(10-thioxanthen-10-ium-9-yldecyl)thioxanthen-10-ium diperchlorate Openeye Name: 9-(10-thioxanthen-10-ium-9-yldecyl)thioxanthen-10-ium diperchlorate CAS Name: 9-[10-(9-thioxanthen-10-iumyl)decyl]thioxanthen-10-ium diperchlorate IUPAC Name: 9-(10-thioxanthen-10-ium-9-yldecyl)thioxanthen-10-ium diperchlorate Traditional Name: 9-(10-thioxanthen-10-ium-9-yldecyl)thioxanthen-10-ium diperchlorate Formula: C36H36Cl2O8S2 MolecularWeight: 731.70224

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C=CC=CC3=[S+]2)CCCCCCCCCCC4=C5C=CC=CC5=[S+]C6=CC=CC=C64.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C3C=CC=CC3=[S+]2)CCCCCCCCCCC4=C5C=CC=CC5=[S+]C6=CC=CC=C64.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C36H36S2.2ClHO4/c1(3-5-7-17-27-29-19-9-13-23-33(29)37-34-24-14-10-20-30(27)34)2-4-6-8-18-28-31-21-11-15-25-35(31)38-36-26-16-12-22-32(28)36;2*2-1(3,4)5/h9-16,19-26H,1-8,17-18H2;2*(H,2,3,4,5)/q+2;;/p-2