765273-99-2
2-METHOXY-4-(2-STEAROYLCARBOHYDRAZONOYL)PHENYL 4-BUTOXYBENZOATE
Name2-METHOXY-4-(2-STEAROYLCARBOHYDRAZONOYL)PHENYL 4-BUTOXYBENZOATE
1Identification
【Name】
2-METHOXY-4-(2-STEAROYLCARBOHYDRAZONOYL)PHENYL 4-BUTOXYBENZOATE
【CAS】
【MDL】
MFCD05720697
【English Synonyms】
【Formula】
C37 H56 N2 O5
【MolWeight】
608.858
【Inchi】
InChI=1S/C37H56N2O5/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-36(40)39-38-30-31-22-27-34(35(29-31)42-3)44-37(41)32-23-25-33(26-24-32)43-28-7-5-2/h22-27,29-30H,4-21,28H2,1-3H3,(H,39,40)/b38-30+
【InChIKey】
InChIKey=LKJNQAYOWFDNOR-BIXQXLNPSA-N
【SMILES】
CCCCCCCCCCCCCCCCCC(=O)N/N=C/c1ccc(c(c1)OC)OC(=O)c2ccc(cc2)OCCCC
【MOL File】
2-METHOXY-4-(2-STEAR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:11.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-METHOXY-4-(2-STEAROYLCARBOHYDRAZONOYL)PHENYL 4-BUTOXYBENZOATE.cml