331460-28-7
4-((4-((4-(TERT-BUTYL)BENZOYL)OXY)PHENYL)SULFANYL)PHENYL-4-(TERT-BUTYL)BENZENECARBOXYLATE
Name4-((4-((4-(TERT-BUTYL)BENZOYL)OXY)PHENYL)SULFANYL)PHENYL-4-(TERT-BUTYL)BENZENECARBOXYLATE
1Identification
【Name】
4-((4-((4-(TERT-BUTYL)BENZOYL)OXY)PHENYL)SULFANYL)PHENYL-4-(TERT-BUTYL)BENZENECARBOXYLATE
【CAS】
【MDL】
MFCD00169281
【English Synonyms】
【Formula】
C34 H34 O4 S
【MolWeight】
538.705
【Inchi】
InChI=1S/C34H34O4S/c1-33(2,3)25-11-7-23(8-12-25)31(35)37-27-15-19-29(20-16-27)39-30-21-17-28(18-22-30)38-32(36)24-9-13-26(14-10-24)34(4,5)6/h7-22H,1-6H3
【InChIKey】
InChIKey=CLUUMKCIJNLOMM-UHFFFAOYSA-N
【SMILES】
CC(C)(C)c1ccc(cc1)C(=O)Oc2ccc(cc2)Sc3ccc(cc3)OC(=O)c4ccc(cc4)C(C)(C)C
【MOL File】
4-((4-((4-(TERT-BUTY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:10.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-((4-((4-(TERT-BUTYL)BENZOYL)OXY)PHENYL)SULFANYL)PHENYL-4-(TERT-BUTYL)BENZENECARBOXYLATE.cml