1-(4-chlorophenyl)-2-methyl-1H-isothiochromen-2-ium perchlorate

Systemtic Name: 1-(4-chlorophenyl)-2-methyl-1H-isothiochromen-2-ium perchlorate Openeye Name: 1-(4-chlorophenyl)-2-methyl-1H-isothiochromen-2-ium perchlorate CAS Name: 1-(4-chlorophenyl)-2-methyl-1H-2-benzothiopyran-2-ium perchlorate IUPAC Name: 1-(4-chlorophenyl)-2-methyl-1H-isothiochromen-2-ium perchlorate Traditional Name: 1-(4-chlorophenyl)-2-methyl-1H-isothiochromen-2-ium perchlorate Formula: C16H14Cl2O4S MolecularWeight: 373.25096

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Descriptors Computed from Structure

Canonical SMILES:

C[S+]1C=CC2=CC=CC=C2C1C3=CC=C(C=C3)Cl.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C[S+]1C=CC2=CC=CC=C2C1C3=CC=C(C=C3)Cl.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C16H14ClS.ClHO4/c1-18-11-10-12-4-2-3-5-15(12)16(18)13-6-8-14(17)9-7-13;2-1(3,4)5/h2-11,16H,1H3;(H,2,3,4,5)/q+1;/p-1