4-methylbenzoic acid; propane; thiophosphate

Systemtic Name: 4-methylbenzoic acid; propane; thiophosphate Openeye Name: 4-methylbenzoic acid; propane; thiophosphate CAS Name: 4-methylbenzoic acid; propane; thiophosphate IUPAC Name: 4-methylbenzoic acid; propane; thiophosphate Traditional Name: n-propane; p-toluic acid; thiophosphate Formula: C11H16O5PS-3 MolecularWeight: 291.280501

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H8O2.C3H8.H3O3PS/c1-6-2-4-7(5-3-6)8(9)10;1-3-2;1-4(2,3)5/h2-5H,1H3,(H,9,10);3H2,1-2H3;(H3,1,2,3,5)/p-3