884304-25-0
1,3-NAPHTHALENEDISULFONIC ACID, 7-[[4-[[4-[(5-CYANO-1-ETHYL-1,4,5,6-TETRAHYDRO-2-HYDROXY-4-METHYL-6-OXO-3-PYRIDINYL)AZO]BENZOYL]AMINO]-5-(2-HYDROXYETHOXY)-2-
Name
1,3-NAPHTHALENEDISULFONIC ACID, 7-[[4-[[4-[(5-CYANO-1-ETHYL-1,4,5,6-TETRAHYDRO-2-HYDROXY-4-METHYL-6-OXO-3-PYRIDINYL)AZO]BENZOYL]AMINO]-5-(2-HYDROXYETHOXY)-2-
pro_formula
C35H33N7O11S2
pro_molWeight
791.816
1Identification
【Name】
1,3-NAPHTHALENEDISULFONIC ACID, 7-[[4-[[4-[(5-CYANO-1-ETHYL-1,4,5,6-TETRAHYDRO-2-HYDROXY-4-METHYL-6-OXO-3-PYRIDINYL)AZO]BENZOYL]AMINO]-5-(2-HYDROXYETHOXY)-2-
【CAS】
【MDL】
MFCD17018504
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C35H33N7O11S2
【pro_molWeight】
791.816
【Inchi】
InChI=1S/C35H33N7O11S2/c1-4-42-34(45)27(18-36)20(3)32(35(42)46)41-38-23-8-5-21(6-9-23)33(44)37-29-13-19(2)28(17-30(29)53-12-11-43)40-39-24-10-7-22-14-25(54(47,48)49)16-31(26(22)15-24)55(50,51)52/h5-10,13-17,20,27,43,46H,4,11-12H2,1-3H3,(H,37,44)(H,47,48,49)(H,50,51,52)/b40-39+,41-38+
【InChIKey】
InChIKey=FKTCGEJGFUQCCO-SQYMYULGSA-N
【SMILES】
CCN1C(=O)C(C#N)C(C)C(\N=N\C2=CC=C(C=C2)C(=O)NC2=C(OCCO)C=C(\N=N\C3=CC=C4C=C(C=C(C4=C3)S(O)(=O)=O)S(O)(=O)=O)C(C)=C2)=C1O
【MOL File】
2ChemicalProperties
【ComputedProperties】
pro_donors:5
pro_acceptors:18
XLogP3:1.8822
Bulk/Fine:F