[4-[2-(3,3-dimethyl-4-phosphonooxy-butyl)sulfanylethylsulfanyl]-2,2-dimethyl-butyl] dihydrogen phosphate

Systemtic Name: [4-[2-(3,3-dimethyl-4-phosphonooxy-butyl)sulfanylethylsulfanyl]-2,2-dimethyl-butyl] dihydrogen phosphate Openeye Name: [4-[2-(3,3-dimethyl-4-phosphonooxy-butyl)sulfanylethylsulfanyl]-2,2-dimethyl-butyl] dihydrogen phosphate CAS Name: [4-[2-[(3,3-dimethyl-4-phosphonooxybutyl)thio]ethylthio]-2,2-dimethylbutyl] dihydrogen phosphate IUPAC Name: [4-[2-(3,3-dimethyl-4-phosphonooxybutyl)sulfanylethylsulfanyl]-2,2-dimethylbutyl] dihydrogen phosphate Traditional Name: [4-[2-[(3,3-dimethyl-4-phosphonooxy-butyl)thio]ethylthio]-2,2-dimethyl-butyl] dihydrogen phosphate Formula: C14H32O8P2S2 MolecularWeight: 454.476602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCSCCSCCC(C)(C)COP(=O)(O)O)COP(=O)(O)O

Isomeric SMILES

CC(C)(CCSCCSCCC(C)(C)COP(=O)(O)O)COP(=O)(O)O

InChI

InChI=1S/C14H32O8P2S2/c1-13(2,11-21-23(15,16)17)5-7-25-9-10-26-8-6-14(3,4)12-22-24(18,19)20/h5-12H2,1-4H3,(H2,15,16,17)(H2,18,19,20)