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

Systemtic Name: 5-[(Z)-dec-5-en-5-yl]thianthren-5-ium perchlorate Openeye Name: 5-[(Z)-1-butylhex-1-enyl]thianthren-5-ium perchlorate CAS Name: 5-[(Z)-dec-5-en-5-yl]thianthren-5-ium perchlorate IUPAC Name: 5-[(Z)-dec-5-en-5-yl]thianthren-5-ium perchlorate Traditional Name: 5-[(Z)-1-butylhex-1-enyl]thianthren-5-ium perchlorate Formula: C22H27ClO4S2 MolecularWeight: 455.03038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27S2.ClHO4/c1-3-5-7-13-18(12-6-4-2)24-21-16-10-8-14-19(21)23-20-15-9-11-17-22(20)24;2-1(3,4)5/h8-11,13-17H,3-7,12H2,1-2H3;(H,2,3,4,5)/q+1;/p-1/b18-13-;