2172-33-0
VAT ORANGE 11
Name
VAT ORANGE 11
Formula
C42 H18 N2 O6
MolWeight
646.612
1Identification
【Name】
VAT ORANGE 11
【CAS】
【MDL】
MFCD09838807
【English Synonyms】
【Formula】
C42 H18 N2 O6
【MolWeight】
646.612
【Inchi】
InChI=1S/C42H18N2O6/c45-37-21-5-1-3-7-23(21)39(47)29-25(37)13-9-17-19-11-15-27-31(35(19)43-33(17)29)41(49)28-16-12-20-18-10-14-26-30(34(18)44-36(20)32(28)42(27)50)40(48)24-8-4-2-6-22(24)38(26)46/h1-16,43-44H
【InChIKey】
InChIKey=CVWSULASWLZVCH-UHFFFAOYSA-N
【SMILES】
c1ccc2c(c1)c(=O)c3ccc4c5ccc6c(c5[nH]c4c3c2=O)c(=O)c7ccc8c9ccc1c(c9[nH]c8c7c6=O)c(=O)c2ccccc2c1=O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:8.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
VAT ORANGE 11.cml
Quick Release
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