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

Systemtic Name: 5-[(Z)-pent-2-en-3-yl]thianthren-5-ium perchlorate Openeye Name: 5-[(Z)-1-ethylprop-1-enyl]thianthren-5-ium perchlorate CAS Name: 5-[(Z)-pent-2-en-3-yl]thianthren-5-ium perchlorate IUPAC Name: 5-[(Z)-pent-2-en-3-yl]thianthren-5-ium perchlorate Traditional Name: 5-[(Z)-1-ethylprop-1-enyl]thianthren-5-ium perchlorate Formula: C17H17ClO4S2 MolecularWeight: 384.89748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17S2.ClHO4/c1-3-13(4-2)19-16-11-7-5-9-14(16)18-15-10-6-8-12-17(15)19;2-1(3,4)5/h3,5-12H,4H2,1-2H3;(H,2,3,4,5)/q+1;/p-1/b13-3-;