5863-47-8
ACID BLUE 100
Name
ACID BLUE 100
Formula
C39 H48 N3 O7 S2 . Na
MolWeight
757.944
1Identification
【Name】
ACID BLUE 100
【CAS】
【MDL】
MFCD12964946
【English Synonyms】
【Formula】
C39 H48 N3 O7 S2 . Na
【MolWeight】
757.944
【Inchi】
InChI=1S/C39H49N3O7S2.Na/c1-4-7-25-41(27-29-50(43,44)45)36-19-11-32(12-20-36)39(31-9-15-34(16-10-31)40-35-17-23-38(24-18-35)49-6-3)33-13-21-37(22-14-33)42(26-8-5-2)28-30-51(46,47)48;/h9-24H,4-8,25-30H2,1-3H3,(H2,43,44,45,46,47,48);/q;+1/p-1
【InChIKey】
InChIKey=NETSNTQRMHVIEK-UHFFFAOYSA-M
【SMILES】
CCCCN(CCS(=O)(=O)[O-])c1ccc(cc1)C(=C2C=CC(=[N+](CCCC)CCS(=O)(=O)[O-])C=C2)c3ccc(cc3)Nc4ccc(cc4)OCC.[Na+]
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:10
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ACID BLUE 100.cml
Quick Release
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