5-[(Z)-hex-2-en-3-yl]thianthren-5-ium perchlorate

Systemtic Name: 5-[(Z)-hex-2-en-3-yl]thianthren-5-ium perchlorate Openeye Name: 5-[(1Z)-1-ethylidenebutyl]thianthren-5-ium perchlorate CAS Name: 5-[(Z)-hex-2-en-3-yl]thianthren-5-ium perchlorate IUPAC Name: 5-[(Z)-hex-2-en-3-yl]thianthren-5-ium perchlorate Traditional Name: 5-[(Z)-1-propylprop-1-enyl]thianthren-5-ium perchlorate Formula: C18H19ClO4S2 MolecularWeight: 398.92406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19S2.ClHO4/c1-3-9-14(4-2)20-17-12-7-5-10-15(17)19-16-11-6-8-13-18(16)20;2-1(3,4)5/h4-8,10-13H,3,9H2,1-2H3;(H,2,3,4,5)/q+1;/p-1/b14-4-;