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6ZU

Summary
Name:3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl methanesulfonate
Formula:C18 H16 O5 S
Formal charge:0
Formula weight:344.382 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl methanesulfonate
OpenEye OEToolkits2.0.5[4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl] methanesulfonate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c23OC(=O)C(Cc1ccccc1)=C(C)c2ccc(c3)OS(C)(=O)=O
InChIInChI1.03InChI=1S/C18H16O5S/c1-12-15-9-8-14(23-24(2,20)21)11-17(15)22-18(19)16(12)10-13-6-4-3-5-7-13/h3-9,11H,10H2,1-2H3
InChIKeyInChI1.03FNVRQJZWEFVUOH-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC1=C(Cc2ccccc2)C(=O)Oc3cc(O[S](C)(=O)=O)ccc13
SMILESCACTVS3.385CC1=C(Cc2ccccc2)C(=O)Oc3cc(O[S](C)(=O)=O)ccc13
SMILES_CANONICALOpenEye OEToolkits2.0.5CC1=C(C(=O)Oc2c1ccc(c2)OS(=O)(=O)C)Cc3ccccc3
SMILESOpenEye OEToolkits2.0.5CC1=C(C(=O)Oc2c1ccc(c2)OS(=O)(=O)C)Cc3ccccc3

222415

数据于2024-07-10公开中

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