Basic information
- CAS
76283-90-4- Standard SMILES
Cc1ccc(S(=O)(=O)C(CCC(=O)c2ccccc2)(CCC(=O)c2ccccc2)[N+](=O)[O-])cc1- InChIKey
VCXHLSGWHVDFML-UHFFFAOYSA-N- Molecular formula
- C26H25NO6S
- Average molar mass
- 479.5 g/mol
- Monoisotopic mass
- 479.14025869
Names & identifiers
- Preferred name
- 4-(Hydroxy(oxido)amino)-4-((4-methylphenyl)sulfonyl)-1,7-diphenyl-1,7-heptanedione
- IUPAC
- 4-(4-methylphenyl)sulfonyl-4-nitro-1,7-diphenylheptane-1,7-dione
Names & synonyms
76283-90-4NSC353731NSC 3537314-(Hydroxy(oxido)amino)-4-((4-methylphenyl)sulfonyl)-1,7-diphenyl-1,7-heptanedioneNSC-3537314TK7KL6STKDTXSID709976354-nitro-1,7-diphenyl-4-(p-tolylsulfonyl)heptane-1,7-dione4-(4-methylbenzenesulfonyl)-4-nitro-1,7-diphenylheptane-1,7-dione4-(4-Methylbenzene-1-sulfonyl)-4-nitro-1,7-diphenylheptane-1,7-dione4-[(4-Methylphenyl)sulfonyl]-4-nitro-1,7-diphenyl-1,7-heptanedione1,7-HEPTANEDIONE, 4-((4-METHYLPHENYL)SULFONYL)-4-NITRO-1,7-DIPHENYL
Database identifiers
- CAS
76283-90-4- PubChem CID
- 337089
- DTXSID
DTXSID70997635- UNII
- 4TK7KL6STK
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 773
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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