5-[bis[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phosphoryloxy]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[bis[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phosphoryloxy]-2-oxidanyl-benzoic acid Openeye Name: 5-[bis[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phosphoryloxy]-2-hydroxy-benzoic acid CAS Name: 5-[bis[2-[(2,2-dimethyl-1-oxopropyl)thio]ethoxy]phosphoryloxy]-2-hydroxybenzoic acid IUPAC Name: 5-[bis[2-(2,2-dimethylpropanoylsulfanyl)ethoxy]phosphoryloxy]-2-hydroxybenzoic acid Traditional Name: 5-[bis[2-(pivaloylthio)ethoxy]phosphoryloxy]-2-hydroxy-benzoic acid Formula: C21H31O9PS2 MolecularWeight: 522.569201

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)SCCOP(=O)(OCCSC(=O)C(C)(C)C)OC1=CC(=C(C=C1)O)C(=O)O

Isomeric SMILES

CC(C)(C)C(=O)SCCOP(=O)(OCCSC(=O)C(C)(C)C)OC1=CC(=C(C=C1)O)C(=O)O

InChI

InChI=1S/C21H31O9PS2/c1-20(2,3)18(25)32-11-9-28-31(27,29-10-12-33-19(26)21(4,5)6)30-14-7-8-16(22)15(13-14)17(23)24/h7-8,13,22H,9-12H2,1-6H3,(H,23,24)