764655-75-6
4-(2-(4-BUTOXYBENZOYL)CARBOHYDRAZONOYL)-2-ETHOXYPHENYL 4-METHOXYBENZOATE
Name4-(2-(4-BUTOXYBENZOYL)CARBOHYDRAZONOYL)-2-ETHOXYPHENYL 4-METHOXYBENZOATE
1Identification
【Name】
4-(2-(4-BUTOXYBENZOYL)CARBOHYDRAZONOYL)-2-ETHOXYPHENYL 4-METHOXYBENZOATE
【CAS】
【MDL】
MFCD05154626
【English Synonyms】
【Formula】
C28 H30 N2 O6
【MolWeight】
490.553
【Inchi】
InChI=1S/C28H30N2O6/c1-4-6-17-35-24-14-8-21(9-15-24)27(31)30-29-19-20-7-16-25(26(18-20)34-5-2)36-28(32)22-10-12-23(33-3)13-11-22/h7-16,18-19H,4-6,17H2,1-3H3,(H,30,31)/b29-19+
【InChIKey】
InChIKey=KQWOROQFTZQZBF-VUTHCHCSSA-N
【SMILES】
CCCCOc1ccc(cc1)C(=O)N/N=C/c2ccc(c(c2)OCC)OC(=O)c3ccc(cc3)OC
【MOL File】
4-(2-(4-BUTOXYBENZOY….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
4-(2-(4-BUTOXYBENZOYL)CARBOHYDRAZONOYL)-2-ETHOXYPHENYL 4-METHOXYBENZOATE.cml