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JKR

Summary
Name:3-[5-[3-bis(oxidanyl)phosphanyloxypropoxy]naphthalen-1-yl]oxypropyl 3-(5-oxidanylnaphthalen-1-yl)oxypropyl hydrogen phosphate
Formula:C29 H34 O11 P2
Formal charge:0
Formula weight:620.521 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.73-[5-[3-bis(oxidanyl)phosphanyloxypropoxy]naphthalen-1-yl]oxypropyl 3-(5-oxidanylnaphthalen-1-yl)oxypropyl hydrogen phosphate

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C29H34O11P2/c30-26-12-1-9-23-22(26)8-2-13-27(23)36-17-6-20-39-42(33,34)40-21-7-18-37-29-15-4-10-24-25(29)11-3-14-28(24)35-16-5-19-38-41(31)32/h1-4,8-15,30-32H,5-7,16-21H2,(H,33,34)
InChIKeyInChI1.06ZWBSUQKVIPHNOV-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OP(O)OCCCOc1cccc2c(OCCCO[P](O)(=O)OCCCOc3cccc4c(O)cccc34)cccc12
SMILESCACTVS3.385OP(O)OCCCOc1cccc2c(OCCCO[P](O)(=O)OCCCOc3cccc4c(O)cccc34)cccc12
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc2c(cccc2OCCCOP(=O)(O)OCCCOc3cccc4c3cccc4OCCCOP(O)O)c(c1)O
SMILESOpenEye OEToolkits2.0.7c1cc2c(cccc2OCCCOP(=O)(O)OCCCOc3cccc4c3cccc4OCCCOP(O)O)c(c1)O

222415

數據於2024-07-10公開中

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