767330-03-0
4-(2-(2,4-DIHYDROXYBENZOYL)CARBOHYDRAZONOYL)-2-METHOXYPHENYL 4-BUTOXYBENZOATE
Name4-(2-(2,4-DIHYDROXYBENZOYL)CARBOHYDRAZONOYL)-2-METHOXYPHENYL 4-BUTOXYBENZOATE
1Identification
【Name】
4-(2-(2,4-DIHYDROXYBENZOYL)CARBOHYDRAZONOYL)-2-METHOXYPHENYL 4-BUTOXYBENZOATE
【CAS】
【MDL】
MFCD06199733
【English Synonyms】
【Formula】
C26 H26 N2 O7
【MolWeight】
478.498
【Inchi】
InChI=1S/C26H26N2O7/c1-3-4-13-34-20-9-6-18(7-10-20)26(32)35-23-12-5-17(14-24(23)33-2)16-27-28-25(31)21-11-8-19(29)15-22(21)30/h5-12,14-16,29-30H,3-4,13H2,1-2H3,(H,28,31)/b27-16+
【InChIKey】
InChIKey=LKLFGPHWIVZCHK-JVWAILMASA-N
【SMILES】
CCCCOc1ccc(cc1)C(=O)Oc2ccc(cc2OC)/C=N/NC(=O)c3ccc(cc3O)O
【MOL File】
4-(2-(2,4-DIHYDROXYB….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:9
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-(2,4-DIHYDROXYBENZOYL)CARBOHYDRAZONOYL)-2-METHOXYPHENYL 4-BUTOXYBENZOATE.cml