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6A4

Summary
Name:(4S)-2-sulfanylidene-4-[(tetradecanoyloxy)methyl]-1,3,2lambda~5~-dioxaphospholane-2-thiolate
Formula:C17 H32 O4 P S2
Formal charge:-1
Formula weight:395.537 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(4S)-2-sulfanylidene-4-[(tetradecanoyloxy)methyl]-1,3,2lambda~5~-dioxaphospholane-2-thiolate
OpenEye OEToolkits2.0.4[(4~{S})-2-sulfanidyl-2-sulfanylidene-1,3,2$l^{5}-dioxaphospholan-4-yl]methyl tetradecanoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01S=P1(OCC(O1)COC(CCCCCCCCCCCCC)=O)[S-]
InChIInChI1.03InChI=1S/C17H33O4PS2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(18)19-14-16-15-20-22(23,24)21-16/h16H,2-15H2,1H3,(H,23,24)/p-1/t16-/m0/s1
InChIKeyInChI1.03PXJKEDDZAWQNJX-INIZCTEOSA-M
SMILES_CANONICALCACTVS3.385CCCCCCCCCCCCCC(=O)OC[C@H]1CO[P]([S-])(=S)O1
SMILESCACTVS3.385CCCCCCCCCCCCCC(=O)OC[CH]1CO[P]([S-])(=S)O1
SMILES_CANONICALOpenEye OEToolkits2.0.4CCCCCCCCCCCCCC(=O)OC[C@H]1COP(=S)(O1)[S-]
SMILESOpenEye OEToolkits2.0.4CCCCCCCCCCCCCC(=O)OCC1COP(=S)(O1)[S-]

222415

건을2024-07-10부터공개중

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