859928-95-3
3,5-DINITRO-BENZOIC ACID-4-METHYLENE-3-(2-[7A-METHYL-1-(1,4,5-TRIMETHYL-HEX-2-ENYL)-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE)-CYCLOHEXYL ESTER
Name
3,5-DINITRO-BENZOIC ACID-4-METHYLENE-3-(2-[7A-METHYL-1-(1,4,5-TRIMETHYL-HEX-2-ENYL)-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE)-CYCLOHEXYL ESTER
pro_formula
C35 H46 N2 O6
pro_molWeight
590.756
1Identification
【Name】
3,5-DINITRO-BENZOIC ACID-4-METHYLENE-3-(2-[7A-METHYL-1-(1,4,5-TRIMETHYL-HEX-2-ENYL)-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE)-CYCLOHEXYL ESTER
【CAS】
【MDL】
MFCD10574882
【EnglishSynonyms】
【pro_formula】
C35 H46 N2 O6
【pro_molWeight】
590.756
【Inchi】
InChI=1S/C35H46N2O6/c1-22(2)23(3)9-10-25(5)32-15-16-33-26(8-7-17-35(32,33)6)12-13-27-20-31(14-11-24(27)4)43-34(38)28-18-29(36(39)40)21-30(19-28)37(41)42/h9-10,12-13,18-19,21-23,25,31-33H,4,7-8,11,14-17,20H2,1-3,5-6H3/b10-9+,26-12+,27-13-/t23-,25+,31-,32+,33-,35+/m0/s1
【InChIKey】
InChIKey=LECFLFJCNVVCCI-JPKFJIBESA-N
【SMILES】
CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)OC(=O)c4cc(cc(c4)[N+](=O)[O-])[N+](=O)[O-])C
【MOL File】
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:8
XLogP3:12.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
3,5-DINITRO-BENZOIC ACID-4-METHYLENE-3-(2-[7A-METHYL-1-(1,4,5-TRIMETHYL-HEX-2-ENYL)-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE)-CYCLOHEXYL ESTER.cml
quick_release
L-VINYLGLYCINE
2149-70-4 ;70982-53-5
(S)-(+)-1-AMINOETHYLPHOSPHONIC ACID
66068-76-6
L-ASPARTIC ACID BETA-HYDROXAMATE
1955-68-6
L-AP3
23052-80-4
L-CYSTEIC ACID
498-40-8 ;13100-82-8 ;23537-25-9
2-HEXENEDIOIC ACID, 5-AMINO-, (2E,5S)-
443650-31-5
SuppliersList
Relatedproducts
L-VINYLGLYCINE
2149-70-4 ;70982-53-5
(S)-(+)-1-AMINOETHYLPHOSPHONIC ACID
66068-76-6
L-ASPARTIC ACID BETA-HYDROXAMATE
1955-68-6
L-AP3
23052-80-4
L-CYSTEIC ACID
498-40-8 ;13100-82-8 ;23537-25-9
2-HEXENEDIOIC ACID, 5-AMINO-, (2E,5S)-
443650-31-5