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2LB

Summary
Name:(2S)-2-methyl-1,4-dioxo-1,2,3,4-tetrahydronaphthalene-2-sulfonic acid
Synonyms:menadione bisulfite
Formula:C11 H10 O5 S
Formal charge:0
Formula weight:254.259 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2S)-2-methyl-1,4-dioxo-1,2,3,4-tetrahydronaphthalene-2-sulfonic acid
OpenEye OEToolkits1.7.6(2S)-2-methyl-1,4-bis(oxidanylidene)-3H-naphthalene-2-sulfonic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(O)C2(C(=O)c1c(cccc1)C(=O)C2)C
InChIInChI1.03InChI=1S/C11H10O5S/c1-11(17(14,15)16)6-9(12)7-4-2-3-5-8(7)10(11)13/h2-5H,6H2,1H3,(H,14,15,16)/t11-/m0/s1
InChIKeyInChI1.03WIXFIQKTHUVFDI-NSHDSACASA-N
SMILES_CANONICALCACTVS3.385C[C@@]1(CC(=O)c2ccccc2C1=O)[S](O)(=O)=O
SMILESCACTVS3.385C[C]1(CC(=O)c2ccccc2C1=O)[S](O)(=O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.6C[C@@]1(CC(=O)c2ccccc2C1=O)S(=O)(=O)O
SMILESOpenEye OEToolkits1.7.6CC1(CC(=O)c2ccccc2C1=O)S(=O)(=O)O

222415

건을2024-07-10부터공개중

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