5-[(Z)-oct-3-en-3-yl]thianthren-5-ium perchlorate

Systemtic Name: 5-[(Z)-oct-3-en-3-yl]thianthren-5-ium perchlorate Openeye Name: 5-[(Z)-1-ethylhex-1-enyl]thianthren-5-ium perchlorate CAS Name: 5-[(Z)-oct-3-en-3-yl]thianthren-5-ium perchlorate IUPAC Name: 5-[(Z)-oct-3-en-3-yl]thianthren-5-ium perchlorate Traditional Name: 5-[(Z)-1-ethylhex-1-enyl]thianthren-5-ium perchlorate Formula: C20H23ClO4S2 MolecularWeight: 426.97722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC=C(CC)[S+]1C2=CC=CC=C2SC3=CC=CC=C31.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCCC/C=C(/CC)\[S+]1C2=CC=CC=C2SC3=CC=CC=C31.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C20H23S2.ClHO4/c1-3-5-6-11-16(4-2)22-19-14-9-7-12-17(19)21-18-13-8-10-15-20(18)22;2-1(3,4)5/h7-15H,3-6H2,1-2H3;(H,2,3,4,5)/q+1;/p-1/b16-11-;