4-[5-(4-chlorophenyl)-1,2-dithiol-3-ylidene]morpholin-4-ium perchlorate

Systemtic Name: 4-[5-(4-chlorophenyl)-1,2-dithiol-3-ylidene]morpholin-4-ium perchlorate Openeye Name: 4-[5-(4-chlorophenyl)dithiol-3-ylidene]morpholin-4-ium perchlorate CAS Name: 4-[5-(4-chlorophenyl)-3-dithiolylidene]morpholin-4-ium perchlorate IUPAC Name: 4-[5-(4-chlorophenyl)dithiol-3-ylidene]morpholin-4-ium perchlorate Traditional Name: 4-[5-(4-chlorophenyl)dithiol-3-ylidene]morpholin-4-ium perchlorate Formula: C13H13Cl2NO5S2 MolecularWeight: 398.28202

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[N+]1=C2C=C(SS2)C3=CC=C(C=C3)Cl.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C1COCC[N+]1=C2C=C(SS2)C3=CC=C(C=C3)Cl.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C13H13ClNOS2.ClHO4/c14-11-3-1-10(2-4-11)12-9-13(18-17-12)15-5-7-16-8-6-15;2-1(3,4)5/h1-4,9H,5-8H2;(H,2,3,4,5)/q+1;/p-1