ethane; 3-methylbenzenethiol; propane; thiophosphate

Systemtic Name: ethane; 3-methylbenzenethiol; propane; thiophosphate Openeye Name: ethane; 3-methylbenzenethiol; propane; thiophosphate CAS Name: ethane; 3-methylbenzenethiol; propane; thiophosphate IUPAC Name: ethane; 3-methylbenzenethiol; propane; thiophosphate Traditional Name: ethane; 3-methylbenzenethiol; n-propane; thiophosphate Formula: C12H22O3PS2-3 MolecularWeight: 309.405041

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Descriptors Computed from Structure

Canonical SMILES:

CC.CCC.CC1=CC(=CC=C1)S.[O-]P(=S)([O-])[O-]

Isomeric SMILES

CC.CCC.CC1=CC(=CC=C1)S.[O-]P(=S)([O-])[O-]

InChI

InChI=1S/C7H8S.C3H8.C2H6.H3O3PS/c1-6-3-2-4-7(8)5-6;1-3-2;1-2;1-4(2,3)5/h2-5,8H,1H3;3H2,1-2H3;1-2H3;(H3,1,2,3,5)/p-3