quaternium-82
chemical compound
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quaternium-82
Summary
quaternium-82 is a group of stereoisomers[1].
Key Facts
- quaternium-82's instance of is recorded as group of stereoisomers[2].
- quaternium-82's CAS Registry Number is recorded as 65059-61-2[3].
- quaternium-82's EC number is recorded as 265-339-0[4].
- quaternium-82's canonical SMILES is recorded as CCCCCCCCC=CCCCCCCCC(=O)OC(C)CN(CCN+(CC(C)O)CC(C)OC(=O)CCCCCCCCC=CCCCCCCC)CC(C)O.COS(=O)(=O)[O-]N+(CC(C)O)CC(C)OC(=O)CCCCCCCCC=CCCCCCCC)CC(C)O.COS(=O)(=O)[O-]">[5].
- quaternium-82's InChI is recorded as InChI=1S/C51H99N2O6.CH4O4S/c1-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-50(56)58-48(5)43-52(42-46(3)54)40-41-53(7,44-47(4)55)45-49(6)59-51(57)39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-2;1-5-6(2,3)4/h21-24,46-49,54-55H,8-20,25-45H2,1-7H3;1H3,(H,2,3,4)/q+1;/p-1/b23-21+,24-22+;[6].
- quaternium-82's InChIKey is recorded as TWNJSZBYPPKSFE-BAYNMDCWSA-M[7].
- quaternium-82's chemical formula is recorded as C₅₂H₁₀₂N₂O₁₀S[8].
- quaternium-82's subclass of is recorded as chemical compound[9].
- quaternium-82's UNII is recorded as AFS70NB1WJ[10].
- quaternium-82's PubChem CID is recorded as 6436951[11].
- quaternium-82's isomeric SMILES is recorded as CCCCCCCC/C=C/CCCCCCCC(=O)OC(C)CN(CCN+(CC(C)O)CC(C)OC(=O)CCCCCCCC/C=C/CCCCCCC)CC(C)O.COS(=O)(=O)[O-]N+(CC(C)O)CC(C)OC(=O)CCCCCCCC/C=C/CCCCCCC)CC(C)O.COS(=O)(=O)[O-]">[12].
- quaternium-82's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+946.7255184640002'}[13].
- quaternium-82's SureChEMBL ID is recorded as 29359852[14].
- quaternium-82's CosIng number is recorded as 79358[15].
- quaternium-82's UniChem compound ID is recorded as 44635980[16].