[2-methyl-4-[4-(3-methyl-3-phosphonooxy-butyl)sulfanylphenyl]sulfanyl-butan-2-yl] dihydrogen phosphate

Systemtic Name: [2-methyl-4-[4-(3-methyl-3-phosphonooxy-butyl)sulfanylphenyl]sulfanyl-butan-2-yl] dihydrogen phosphate Openeye Name: [1,1-dimethyl-3-[4-(3-methyl-3-phosphonooxy-butyl)sulfanylphenyl]sulfanyl-propyl] dihydrogen phosphate CAS Name: [2-methyl-4-[[4-[(3-methyl-3-phosphonooxybutyl)thio]phenyl]thio]butan-2-yl] dihydrogen phosphate IUPAC Name: [2-methyl-4-[4-(3-methyl-3-phosphonooxybutyl)sulfanylphenyl]sulfanylbutan-2-yl] dihydrogen phosphate Traditional Name: [1,1-dimethyl-3-[[4-[(3-methyl-3-phosphonooxy-butyl)thio]phenyl]thio]propyl] dihydrogen phosphate Formula: C16H28O8P2S2 MolecularWeight: 474.466242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCSC1=CC=C(C=C1)SCCC(C)(C)OP(=O)(O)O)OP(=O)(O)O

Isomeric SMILES

CC(C)(CCSC1=CC=C(C=C1)SCCC(C)(C)OP(=O)(O)O)OP(=O)(O)O

InChI

InChI=1S/C16H28O8P2S2/c1-15(2,23-25(17,18)19)9-11-27-13-5-7-14(8-6-13)28-12-10-16(3,4)24-26(20,21)22/h5-8H,9-12H2,1-4H3,(H2,17,18,19)(H2,20,21,22)