769153-41-5
1-(2-(DIPHENOXYACETYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-METHOXYBENZOATE
Name1-(2-(DIPHENOXYACETYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-METHOXYBENZOATE
1Identification
【Name】
1-(2-(DIPHENOXYACETYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-METHOXYBENZOATE
【CAS】
【MDL】
MFCD05153428
【English Synonyms】
【Formula】
C33 H26 N2 O6
【MolWeight】
546.576
【Inchi】
InChI=1S/C33H26N2O6/c1-38-25-19-16-24(17-20-25)32(37)41-30-21-18-23-10-8-9-15-28(23)29(30)22-34-35-31(36)33(39-26-11-4-2-5-12-26)40-27-13-6-3-7-14-27/h2-22,33H,1H3,(H,35,36)/b34-22+
【InChIKey】
InChIKey=GRLVHPIOJUVSSN-PPOKSSTKSA-N
【SMILES】
COc1ccc(cc1)C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)C(Oc4ccccc4)Oc5ccccc5
【MOL File】
1-(2-(DIPHENOXYACETY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:8
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(2-(DIPHENOXYACETYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-METHOXYBENZOATE.cml