764692-90-2
4-(2-(4-((4-METHYLBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PHENYL 4-BUTOXYBENZOATE
Name4-(2-(4-((4-METHYLBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PHENYL 4-BUTOXYBENZOATE
1Identification
【Name】
4-(2-(4-((4-METHYLBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PHENYL 4-BUTOXYBENZOATE
【CAS】
【MDL】
MFCD05720731
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C33 H32 N2 O5
【pro_molWeight】
536.625
【Inchi】
InChI=1S/C33H32N2O5/c1-3-4-21-38-29-19-13-28(14-20-29)33(37)40-31-15-9-25(10-16-31)22-34-35-32(36)27-11-17-30(18-12-27)39-23-26-7-5-24(2)6-8-26/h5-20,22H,3-4,21,23H2,1-2H3,(H,35,36)/b34-22+
【InChIKey】
InChIKey=YNUWRQAQMQHZQG-PPOKSSTKSA-N
【SMILES】
CCCCOc1ccc(cc1)C(=O)Oc2ccc(cc2)/C=N/NC(=O)c3ccc(cc3)OCc4ccc(cc4)C
【MOL File】
4-(2-(4-((4-METHYLBE….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:7
XLogP3:7.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
4-(2-(4-((4-METHYLBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PHENYL 4-BUTOXYBENZOATE.cml