3,4-dihydro-2H-thiochromene; ethane; dithiophosphate; hydrochloride

Systemtic Name: 3,4-dihydro-2H-thiochromene; ethane; dithiophosphate; hydrochloride Openeye Name: ethane; thiochromane; dithiophosphate; hydrochloride CAS Name: 3,4-dihydro-2H-1-benzothiopyran; ethane; dithiophosphate; hydrochloride IUPAC Name: 3,4-dihydro-2H-thiochromene; ethane; dithiophosphate; hydrochloride Traditional Name: ethane; thiochroman; dithiophosphate; hydrochloride Formula: C13H23ClO6P2S3-6 MolecularWeight: 468.913642

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Descriptors Computed from Structure

Canonical SMILES:

CC.CC.C1CC2=CC=CC=C2SC1.[O-]P(=S)([O-])[O-].[O-]P(=S)([O-])[O-].Cl

Isomeric SMILES

CC.CC.C1CC2=CC=CC=C2SC1.[O-]P(=S)([O-])[O-].[O-]P(=S)([O-])[O-].Cl

InChI

InChI=1S/C9H10S.2C2H6.ClH.2H3O3PS/c1-2-6-9-8(4-1)5-3-7-10-9;2*1-2;;2*1-4(2,3)5/h1-2,4,6H,3,5,7H2;2*1-2H3;1H;2*(H3,1,2,3,5)/p-6