765910-10-9
4-(2-((4-CHLOROPHENYL)SULFONYL)CARBOHYDRAZONOYL)PHENYL 4-BUTOXYBENZOATE
Name4-(2-((4-CHLOROPHENYL)SULFONYL)CARBOHYDRAZONOYL)PHENYL 4-BUTOXYBENZOATE
FormulaC24 H23 Cl N2 O5 S
1Identification
【Name】
4-(2-((4-CHLOROPHENYL)SULFONYL)CARBOHYDRAZONOYL)PHENYL 4-BUTOXYBENZOATE
【CAS】
【MDL】
MFCD06199859
【English Synonyms】
【Formula】
C24 H23 Cl N2 O5 S
【MolWeight】
486.974
【Inchi】
InChI=1S/C24H23ClN2O5S/c1-2-3-16-31-21-12-6-19(7-13-21)24(28)32-22-10-4-18(5-11-22)17-26-27-33(29,30)23-14-8-20(25)9-15-23/h4-15,17,27H,2-3,16H2,1H3/b26-17+
【InChIKey】
InChIKey=ORCNLAIHXCZOLX-YZSQISJMSA-N
【SMILES】
CCCCOc1ccc(cc1)C(=O)Oc2ccc(cc2)/C=N/NS(=O)(=O)c3ccc(cc3)Cl
【MOL File】
4-(2-((4-CHLOROPHENY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-((4-CHLOROPHENYL)SULFONYL)CARBOHYDRAZONOYL)PHENYL 4-BUTOXYBENZOATE.cml