501919-59-1
S31-201
Name
S31-201
Formula
C16 H15 N O7 S
MolWeight
365.361
1Identification
【Name】
S31-201
【CAS】
【MDL】
MFCD09907564
【English Synonyms】
【Formula】
C16 H15 N O7 S
【MolWeight】
365.361
【Inchi】
InChI=1S/C16H15NO7S/c1-10-2-5-12(6-3-10)25(22,23)24-9-15(19)17-11-4-7-13(16(20)21)14(18)8-11/h2-8,18H,9H2,1H3,(H,17,19)(H,20,21)
【InChIKey】
InChIKey=HWNUSGNZBAISFM-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)S(=O)(=O)OCC(=O)Nc2ccc(c(c2)O)C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:8
XLogP3:1.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
【WGK Germany】
3
4CML File
S31-201.cml
Quick Release
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