[2-methyl-7-(6-methyl-6-phosphonooxy-heptyl)sulfanyl-heptan-2-yl] dihydrogen phosphate

Systemtic Name: [2-methyl-7-(6-methyl-6-phosphonooxy-heptyl)sulfanyl-heptan-2-yl] dihydrogen phosphate Openeye Name: [1,1-dimethyl-6-(6-methyl-6-phosphonooxy-heptyl)sulfanyl-hexyl] dihydrogen phosphate CAS Name: [2-methyl-7-[(6-methyl-6-phosphonooxyheptyl)thio]heptan-2-yl] dihydrogen phosphate IUPAC Name: [2-methyl-7-(6-methyl-6-phosphonooxyheptyl)sulfanylheptan-2-yl] dihydrogen phosphate Traditional Name: [1,1-dimethyl-6-[(6-methyl-6-phosphonooxy-heptyl)thio]hexyl] dihydrogen phosphate Formula: C16H36O8P2S MolecularWeight: 450.464762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCCCSCCCCCC(C)(C)OP(=O)(O)O)OP(=O)(O)O

Isomeric SMILES

CC(C)(CCCCCSCCCCCC(C)(C)OP(=O)(O)O)OP(=O)(O)O

InChI

InChI=1S/C16H36O8P2S/c1-15(2,23-25(17,18)19)11-7-5-9-13-27-14-10-6-8-12-16(3,4)24-26(20,21)22/h5-14H2,1-4H3,(H2,17,18,19)(H2,20,21,22)