1,2-diphenyl-1H-isothiochromen-2-ium; tris(oxidanyl)-oxidanylidene-$l^{5}-chlorane

Systemtic Name: 1,2-diphenyl-1H-isothiochromen-2-ium; tris(oxidanyl)-oxidanylidene-$l^{5}-chlorane Openeye Name: 1,2-diphenyl-1H-isothiochromen-2-ium; trihydroxy(oxo)-$l^{5}-chlorane CAS Name: 1,2-diphenyl-1H-2-benzothiopyran-2-ium; trihydroxy(oxo)-$l^{5}-chlorane IUPAC Name: 1,2-diphenyl-1H-isothiochromen-2-ium; trihydroxy(oxo)-$l^{5}-chlorane Traditional Name: 1,2-diphenyl-1H-isothiochromen-2-ium; trihydroxy(keto)-$l^{5}-chlorane Formula: C21H20ClO4S+ MolecularWeight: 403.8991

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C3=CC=CC=C3C=C[S+]2C4=CC=CC=C4.OCl(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)C2C3=CC=CC=C3C=C[S+]2C4=CC=CC=C4.OCl(=O)(O)O

InChI

InChI=1S/C21H17S.ClH3O4/c1-3-10-18(11-4-1)21-20-14-8-7-9-17(20)15-16-22(21)19-12-5-2-6-13-19;2-1(3,4)5/h1-16,21H;(H3,2,3,4,5)/q+1;