Kumulan
Basic information
- CAS
61583-33-3- Standard SMILES
CC(C)OC(=O)c1cc(C(=O)OC(C)C)cc([N+](=O)[O-])c1.S- InChIKey
VGGJASJGWBMXOG-UHFFFAOYSA-N- Molecular formula
- C14H19NO6S
- Average molar mass
- 329.37 g/mol
- Monoisotopic mass
- 329.0933085
Names & identifiers
- Preferred name
- Kumulan
- IUPAC
- dipropan-2-yl 5-nitrobenzene-1,3-dicarboxylate;sulfane
Names & synonyms
Kumulan61583-33-3Siarkol NNitrothal-isopropyl-sulfur mixt.BAS 38501FSCHEMBL29443442DTXSID902105901,3-Benzenedicarboxylic acid, 5-nitro-, bis(1-methylethyl) ester mixt.with sulfur1,3-Benzenedicarboxylic acid, 5-nitro-, bis(1-methylethyl) ester, mixt. with sulfur
Database identifiers
- CAS
61583-33-3- PubChem CID
- 43703
- DTXSID
DTXSID90210590
Properties
Computed structural properties
- Topological polar surface area
- 99.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 371
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Related reactions
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Compound notes
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