40691-50-7
TIXANOX
Name
TIXANOX
Formula
C15 H10 O5 S
MolWeight
302.305
1Identification
【Name】
TIXANOX
【CAS】
【MDL】
MFCD00864640
【English Synonyms】
【Formula】
C15 H10 O5 S
【MolWeight】
302.305
【Inchi】
InChI=1S/C15H10O5S/c1-21(19)9-3-5-13-11(7-9)14(16)10-6-8(15(17)18)2-4-12(10)20-13/h2-7H,1H3,(H,17,18)
【InChIKey】
InChIKey=PCVFKIXSNYJABV-UHFFFAOYSA-N
【SMILES】
CS(=O)c1ccc2c(c1)c(=O)c3cc(ccc3o2)C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
TIXANOX.cml
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