2379-76-2
VAT YELLOW 10
Name
VAT YELLOW 10
Formula
C68 H42 N6 O8
MolWeight
1071.11
1Identification
【Name】
VAT YELLOW 10
【CAS】
【MDL】
MFCD09838809
【English Synonyms】
【Formula】
C68 H42 N6 O8
【MolWeight】
1071.11
【Inchi】
InChI=1S/C68H42N6O8/c75-61-51-17-9-21-55(59(51)63(77)49-15-7-19-53(57(49)61)69-65(79)43-11-3-1-4-12-43)71-67(81)45-27-23-39(24-28-45)41-31-35-47(36-32-41)73-74-48-37-33-42(34-38-48)40-25-29-46(30-26-40)68(82)72-56-22-10-18-52-60(56)64(78)50-16-8-20-54(58(50)62(52)76)70-66(80)44-13-5-2-6-14-44/h1-38H,(H,69,79)(H,70,80)(H,71,81)(H,72,82)/b74-73+
【InChIKey】
InChIKey=WXNSNFJLYJBMBT-VFUADWLWSA-N
【SMILES】
c1ccc(cc1)C(=O)Nc2cccc3c2C(=O)c4cccc(c4C3=O)NC(=O)c5ccc(cc5)c6ccc(cc6)/N=N/c7ccc(cc7)c8ccc(cc8)C(=O)Nc9cccc1c9C(=O)c2cccc(c2C1=O)NC(=O)c1ccccc1
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:4
H bond acceptor:14
XLogP3:17.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
VAT YELLOW 10.cml
Quick Release
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