5-[(1E)-cycloocten-1-yl]thianthren-5-ium perchlorate

Systemtic Name: 5-[(1E)-cycloocten-1-yl]thianthren-5-ium perchlorate Openeye Name: 5-[(1E)-cycloocten-1-yl]thianthren-5-ium perchlorate CAS Name: 5-[(1E)-1-cyclooctenyl]thianthren-5-ium perchlorate IUPAC Name: 5-[(1E)-cycloocten-1-yl]thianthren-5-ium perchlorate Traditional Name: 5-[(1E)-cycloocten-1-yl]thianthren-5-ium perchlorate Formula: C20H21ClO4S2 MolecularWeight: 424.96134

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(=CCC1)[S+]2C3=CC=CC=C3SC4=CC=CC=C42.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C1CCC/C(=C\CC1)/[S+]2C3=CC=CC=C3SC4=CC=CC=C42.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C20H21S2.ClHO4/c1-2-4-10-16(11-5-3-1)22-19-14-8-6-12-17(19)21-18-13-7-9-15-20(18)22;2-1(3,4)5/h6-10,12-15H,1-5,11H2;(H,2,3,4,5)/q+1;/p-1/b16-10+;