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Oxychlorosene

HCID 3084036
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Basic information

CAS
8031-14-9
Standard SMILES
CCCCCCCCCCCCCCc1ccc(S(=O)(=O)O)cc1.OCl
InChIKey
STANDTQHKUAYEO-UHFFFAOYSA-N
Molecular formula
C20H35ClO4S
Average molar mass
407 g/mol
Monoisotopic mass
406.1944585

Names & identifiers

Preferred name
Oxychlorosene
IUPAC
hypochlorous acid;4-tetradecylbenzenesulfonic acid
English name
oxychlorosene
Molecular formula
C14H29X.C6H5O3SX.ClHO
Molecular weight
407.012

Names & synonyms

Oxychlorosene8031-14-9Clorpactin XCB3214M86B2NCLORPACTINWAREXINDTXSID40230248RefChem:169030DTXCID401527394-tetradecylbenzenesulfonic acid hypochloriteOxychlorosene [USAN]UNII-3214M86B2N
Show more names
hypochlorous acid;4-tetradecylbenzenesulfonic acidMonoxychloroseneOXYCHLOROSENE [MI]OXYCHLOROSENE [VANDF]OXYCHLOROSENE [MART.]SCHEMBL156580OXYCHLOROSENE [WHO-DD]Q27256112

Database identifiers

CAS
8031-14-9
PubChem CID
3084036
DTXSID
DTXSID40230248
UNII
3214M86B2N

Properties

Computed structural properties

Topological polar surface area
83 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
14
Heavy atoms
26
Formal charge
0
Complexity
380

Physicochemical properties

FDA UNII
3214 M86B2N · 3214M86B2N

Chemistry & industry

Applications

UsesAnti-infective, topical.

Related reactions

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Compound notes

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