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(Q82198001)
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English
Methyl 1-(benzenesulfonyl)-1H-indole-3-carboxylate
chemical compound
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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mass
315.05652889600003
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₆H₁₃NO₄S
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canonical SMILES
COC(=O)C1=CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3
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Identifiers
InChI
InChI=1S/C16H13NO4S/c1-21-16(18)14-11-17(15-10-6-5-9-13(14)15)22(19,20)12-7-3-2-4-8-12/h2-11H,1H3
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InChIKey
UAGHFCKWEMUQTN-UHFFFAOYSA-N
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CAS Registry Number
116325-17-8
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PubChem CID
3829008
1 reference
matched by identifier from
InChIKey
InChIKey
UAGHFCKWEMUQTN-UHFFFAOYSA-N
UniChem compound ID
969684
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40397002
1 reference
matched by identifier from
InChIKey
InChIKey
UAGHFCKWEMUQTN-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID00347861
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