2,4-diphenyl-5,6,7,8-tetrahydrothiochromen-1-ium perchlorate

Systemtic Name: 2,4-diphenyl-5,6,7,8-tetrahydrothiochromen-1-ium perchlorate Openeye Name: 2,4-diphenyl-5,6,7,8-tetrahydrothiochromen-1-ium perchlorate CAS Name: 2,4-diphenyl-5,6,7,8-tetrahydro-1-benzothiopyran-1-ium perchlorate IUPAC Name: 2,4-diphenyl-5,6,7,8-tetrahydrothiochromen-1-ium perchlorate Traditional Name: 2,4-diphenyl-5,6,7,8-tetrahydrothiochromen-1-ium perchlorate Formula: C21H19ClO4S MolecularWeight: 402.89116

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=CC(=[S+]2)C3=CC=CC=C3)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C1CCC2=C(C1)C(=CC(=[S+]2)C3=CC=CC=C3)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C21H19S.ClHO4/c1-3-9-16(10-4-1)19-15-21(17-11-5-2-6-12-17)22-20-14-8-7-13-18(19)20;2-1(3,4)5/h1-6,9-12,15H,7-8,13-14H2;(H,2,3,4,5)/q+1;/p-1