117-44-2
4-[(4-AMINO-5-METHOXY-2-METHYLPHENYL)DIAZENYL]-5-[(PHENYLSULFONYL)OXY]-2,7-NAPHTHALENEDISULFONIC ACID
Name4-[(4-AMINO-5-METHOXY-2-METHYLPHENYL)DIAZENYL]-5-[(PHENYLSULFONYL)OXY]-2,7-NAPHTHALENEDISULFONIC ACID
1Identification
【Name】
4-[(4-AMINO-5-METHOXY-2-METHYLPHENYL)DIAZENYL]-5-[(PHENYLSULFONYL)OXY]-2,7-NAPHTHALENEDISULFONIC ACID
【CAS】
【MDL】
MFCD23142646
【English Synonyms】
【Formula】
C24 H21 N3 O10 S3
【MolWeight】
607.639
【Inchi】
InChI=1S/C24H21N3O10S3/c1-14-8-19(25)22(36-2)13-20(14)26-27-21-11-17(38(28,29)30)9-15-10-18(39(31,32)33)12-23(24(15)21)37-40(34,35)16-6-4-3-5-7-16/h3-13H,25H2,1-2H3,(H,28,29,30)(H,31,32,33)/b27-26+
【InChIKey】
InChIKey=QEYCCMMMEKIJFH-CYYJNZCTSA-N
【SMILES】
Cc1cc(c(cc1/N=N/c2cc(cc3c2c(cc(c3)S(=O)(=O)O)OS(=O)(=O)c4ccccc4)S(=O)(=O)O)OC)N
【MOL File】
4-[(4-AMINO-5-METHOX….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:13
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-[(4-AMINO-5-METHOXY-2-METHYLPHENYL)DIAZENYL]-5-[(PHENYLSULFONYL)OXY]-2,7-NAPHTHALENEDISULFONIC ACID.cml