(4-chlorophenyl)methanethiol; ethane; dithiophosphate

Systemtic Name: (4-chlorophenyl)methanethiol; ethane; dithiophosphate Openeye Name: (4-chlorophenyl)methanethiol; ethane; dithiophosphate CAS Name: (4-chlorophenyl)methanethiol; ethane; dithiophosphate IUPAC Name: (4-chlorophenyl)methanethiol; ethane; dithiophosphate Traditional Name: (4-chlorophenyl)methanethiol; ethane; dithiophosphate Formula: C11H19ClO6P2S3-6 MolecularWeight: 440.860482

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Descriptors Computed from Structure

Canonical SMILES:

CC.CC.C1=CC(=CC=C1CS)Cl.[O-]P(=S)([O-])[O-].[O-]P(=S)([O-])[O-]

Isomeric SMILES

CC.CC.C1=CC(=CC=C1CS)Cl.[O-]P(=S)([O-])[O-].[O-]P(=S)([O-])[O-]

InChI

InChI=1S/C7H7ClS.2C2H6.2H3O3PS/c8-7-3-1-6(5-9)2-4-7;2*1-2;2*1-4(2,3)5/h1-4,9H,5H2;2*1-2H3;2*(H3,1,2,3,5)/p-6