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(Q82003049)
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English
1,2-Benzisothiazole-2(3H)-carboxylic acid, 3,3-bis(4-hydroxy-3,5-dimethoxyphenyl)-, 2-(methylsulfonyl)ethyl ester, 1,1-dioxide
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
623.6519
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₇H₂₉NO₁₂S₂
0 references
canonical SMILES
COC1=CC(=CC(=C1O)OC)C2(C3=CC=CC=C3S(=O)(=O)N2C(=O)OCCS(=O)(=O)C)C4=CC(=C(C(=C4)OC)O)OC
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Identifiers
InChI
InChI=1S/C27H29NO12S2/c1-36-19-12-16(13-20(37-2)24(19)29)27(17-14-21(38-3)25(30)22(15-17)39-4)18-8-6-7-9-23(18)42(34,35)28(27)26(31)40-10-11-41(5,32)33/h6-9,12-15,29-30H,10-11H2,1-5H3
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InChIKey
KVGCVFNITCGHPC-UHFFFAOYSA-N
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CAS Registry Number
70367-99-6
1 reference
stated in
CAS Common Chemistry
retrieved
7 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=70367-99-6
InChIKey
KVGCVFNITCGHPC-UHFFFAOYSA-N
PubChem CID
56843369
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
KVGCVFNITCGHPC-UHFFFAOYSA-N
UniChem compound ID
60028108
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID5074927
1 reference
matched by identifier from
InChIKey
InChIKey
KVGCVFNITCGHPC-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID2046676
0 references
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