Sulfosuccinic acid di(1-methylisopentyl) ester
Basic information
- CAS
162215-93-2- Standard SMILES
CC(C)CC(C)OC(=O)CC(C(=O)OC(C)CC(C)C)S(=O)(=O)O- InChIKey
CLJDUFMUISGSEC-UHFFFAOYSA-N- Molecular formula
- C16H30O7S
- Average molar mass
- 366.5 g/mol
- Monoisotopic mass
- 366.17122447
Names & identifiers
- Preferred name
- Sulfosuccinic acid di(1-methylisopentyl) ester
- IUPAC
- 1,4-bis(4-methylpentan-2-yloxy)-1,4-dioxobutane-2-sulfonic acid
Names & synonyms
SY2YOW949WSulfosuccinic acid di(1-methylisopentyl) esterJ2.185.431JUNII-SY2YOW949WSulfosuccinic acid 1,4-bis(1,3-dimethylbutyl) ester1,4-bis(4-methylpentan-2-yloxy)-1,4-dioxobutane-2-sulfonic acid162215-93-2Butanedioic acid, sulfo-, 1,4-bis(1,3-dimethylbutyl) esterButanedioic acid, 2-sulfo-, 1,4-bis(1,3-dimethylbutyl) ester1,4-Bis((4-methyl-2-pentanyl)oxy)-1,4-dioxo-2-butanesulfonic acidSCHEMBL1221451Q27289456
Database identifiers
- CAS
162215-93-2- PubChem CID
- 102796
- UNII
- SY2YOW949W
- Nikkaji
- J2.185.431J
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 505
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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