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Home> Hot Product Listed 1   > [1,1'-Biphenyl]-2,2'-dicarboxylicacid, 4,4'-dinitro-, 2,2'-dimethyl ester
30835-59-7 structure

[1,1'-Biphenyl]-2,2'-dicarboxylicacid, 4,4'-dinitro-, 2,2'-dimethyl ester

Iupac Name:diethyl (17-oxo-15,16-dihydrocyclopenta[a]phenanthren-11-yl) phosphate
CAS No.:30835-59-7
Molecular Weight:384.368
Molecular Formula:C34H26N6 (isomer)
Names and Identifiers
Synonyms

[1,1'-Biphenyl]-2,2'-dicarboxylicacid, 4,4'-dinitro-, dimethyl ester (9CI) 2,2'-bis(carbomethoxy)-4,4'-dinitrobiphenyl 2,2'-dimethyl 4,4'-dinitro-[1,1'-biphenyl]-2,2'-dicarboxylate 4,4'-dinitrobiphenyl-2,2'-dicarboxylic acid dimethyl ester AC1L9KB5 AC1Q42YK AKOS024427037 CTK4F1266 DGANXQLLXWERMX-UHFFFAOYSA-N dimethyl 4,4'-dinitro-[1,1'-biphenyl]-2,2'-dicarboxylate dimethyl 4,4'-dinitro[1,1'-biphenyl]-2,2'-dicarboxylate Diphenicacid, 4,4'-dinitro-, dimethyl ester (8CI) DTXSID30329534 MCULE-9759723897 methyl 2-(2-methoxycarbonyl-4-nitro-phenyl)-5-nitro-benzoate methyl 2-(2-methoxycarbonyl-4-nitrophenyl)-5-nitrobenzoate methyl 2-[2-(methoxycarbonyl)-4-nitrophenyl]-5-nitrobenzoate NSC 128628 nsc128628 nsc-128628 OR245347 SCHEMBL9068677 ZINC1717038

Inchi
InChI=1S/C21H21O5P/c1-3-24-27(23,25-4-2)26-20-13-18-16(11-12-19(18)22)17-10-9-14-7-5-6-8-15(14)21(17)20/h5-10,13H,3-4,11-12H2,1-2H3
InChkey
GHKKPVDTZLCJHC-UHFFFAOYSA-N
Canonical Smiles
CCOP(=O)(OCC)OC1=C2C(=C3CCC(=O)C3=C1)C=CC4=CC=CC=C42
Properties
Refractive Index
1.635
Computational chemical data
  • Molecular Weight:384.368g/mol
  • Molecular Formula:C34H26N6
  • Compound Is Canonicalized:True
  • Exact Mass:384.113
  • Monoisotopic Mass:384.113
  • Complexity:583
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:5
  • Heavy Atom Count:27
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
 
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