769152-42-3
3-(2-STEAROYLCARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
Name3-(2-STEAROYLCARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
1Identification
【Name】
3-(2-STEAROYLCARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
【CAS】
【MDL】
MFCD05153546
【English Synonyms】
【Formula】
C33 H48 N2 O4
【MolWeight】
536.752
【Inchi】
InChI=1S/C33H48N2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-32(36)35-34-27-28-19-18-20-31(26-28)39-33(37)29-22-24-30(38-2)25-23-29/h18-20,22-27H,3-17,21H2,1-2H3,(H,35,36)/b34-27+
【InChIKey】
InChIKey=YBICVHNYEUSAJL-DNGXXSEMSA-N
【SMILES】
CCCCCCCCCCCCCCCCCC(=O)N/N=C/c1cccc(c1)OC(=O)c2ccc(cc2)OC
【MOL File】
3-(2-STEAROYLCARBOHY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:9.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(2-STEAROYLCARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE.cml