51022-74-3
IOTROXIC ACID
Name
IOTROXIC ACID
Formula
C22 H18 I6 N2 O9
MolWeight
1215.79
1Identification
【Name】
IOTROXIC ACID
【CAS】
【MDL】
MFCD00867956
【English Synonyms】
【Formula】
C22 H18 I6 N2 O9
【MolWeight】
1215.79
【Inchi】
InChI=1S/C22H18I6N2O9/c23-9-5-11(25)19(17(27)15(9)21(33)34)29-13(31)7-38-3-1-37-2-4-39-8-14(32)30-20-12(26)6-10(24)16(18(20)28)22(35)36/h5-6H,1-4,7-8H2,(H,29,31)(H,30,32)(H,33,34)(H,35,36)
【InChIKey】
InChIKey=JXMIBUGMYLQZGO-UHFFFAOYSA-N
【SMILES】
c1c(c(c(c(c1I)NC(=O)COCCOCCOCC(=O)Nc2c(cc(c(c2I)C(=O)O)I)I)I)C(=O)O)I
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:4
H bond acceptor:11
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
IOTROXIC ACID.cml
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