767313-97-3
2-MEO-4-(2-(4-((4-METHYLBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PH 4-BUTOXYBENZOATE
Name2-MEO-4-(2-(4-((4-METHYLBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PH 4-BUTOXYBENZOATE
1Identification
【Name】
2-MEO-4-(2-(4-((4-METHYLBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PH 4-BUTOXYBENZOATE
【CAS】
【MDL】
MFCD05720788
【English Synonyms】
【Formula】
C34 H34 N2 O6
【MolWeight】
566.651
【Inchi】
InChI=1S/C34H34N2O6/c1-4-5-20-40-29-17-13-28(14-18-29)34(38)42-31-19-10-26(21-32(31)39-3)22-35-36-33(37)27-11-15-30(16-12-27)41-23-25-8-6-24(2)7-9-25/h6-19,21-22H,4-5,20,23H2,1-3H3,(H,36,37)/b35-22+
【InChIKey】
InChIKey=NIUHAVHWYJICBF-FADJLKOXSA-N
【SMILES】
CCCCOc1ccc(cc1)C(=O)Oc2ccc(cc2OC)/C=N/NC(=O)c3ccc(cc3)OCc4ccc(cc4)C
【MOL File】
2-MEO-4-(2-(4-((4-ME….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:8
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-MEO-4-(2-(4-((4-METHYLBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PH 4-BUTOXYBENZOATE.cml