9-docosylthioxanthen-10-ium perchlorate

Systemtic Name: 9-docosylthioxanthen-10-ium perchlorate Openeye Name: 9-docosylthioxanthen-10-ium perchlorate CAS Name: 9-docosylthioxanthen-10-ium perchlorate IUPAC Name: 9-docosylthioxanthen-10-ium perchlorate Traditional Name: 9-behenylthioxanthen-10-ium perchlorate Formula: C35H53ClO4S MolecularWeight: 605.31092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCC1=C2C=CC=CC2=[S+]C3=CC=CC=C31.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCC1=C2C=CC=CC2=[S+]C3=CC=CC=C31.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C35H53S.ClHO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-31-32-27-22-24-29-34(32)36-35-30-25-23-28-33(31)35;2-1(3,4)5/h22-25,27-30H,2-21,26H2,1H3;(H,2,3,4,5)/q+1;/p-1