851799-49-0
BENZENEACETIC ACID, ALPHA-[[2-METHOXY-5-[[[(1E)-2-(2,4,6-TRIMETHOXYPHENYL)ETHENYL]SULFONYL]METHYL]PHENYL]AMINO]-, (ALPHAR)-
NameBENZENEACETIC ACID, ALPHA-[[2-METHOXY-5-[[[(1E)-2-(2,4,6-TRIMETHOXYPHENYL)ETHENYL]SULFONYL]METHYL]PHENYL]AMINO]-, (ALPHAR)-
1Identification
【Name】
BENZENEACETIC ACID, ALPHA-[[2-METHOXY-5-[[[(1E)-2-(2,4,6-TRIMETHOXYPHENYL)ETHENYL]SULFONYL]METHYL]PHENYL]AMINO]-, (ALPHAR)-
【CAS】
【MDL】
MFCD12032111
【English Synonyms】
【Formula】
C27 H29 N O8 S
【MolWeight】
527.591
【Inchi】
InChI=1S/C27H29NO8S/c1-33-20-15-24(35-3)21(25(16-20)36-4)12-13-37(31,32)17-18-10-11-23(34-2)22(14-18)28-26(27(29)30)19-8-6-5-7-9-19/h5-16,26,28H,17H2,1-4H3,(H,29,30)/b13-12+/t26-/m1/s1
【InChIKey】
InChIKey=KEVFAHSHSRDVLW-WUZNFDRSSA-N
【SMILES】
COc1ccc(cc1N[C@H](c2ccccc2)C(=O)O)CS(=O)(=O)/C=C/c3c(cc(cc3OC)OC)OC
【MOL File】
BENZENEACETIC ACID, ….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:9
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BENZENEACETIC ACID, ALPHA-[[2-METHOXY-5-[[[(1E)-2-(2,4,6-TRIMETHOXYPHENYL)ETHENYL]SULFONYL]METHYL]PHENYL]AMINO]-, (ALPHAR)-.cml