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Substance Name: 1,2-Benzisothiazole-2(3H)-carboxylic acid, 3,3-bis(4-hydroxy-3,5-dimethoxyphenyl)-, 2-(methylsulfonyl)ethyl ester, 1,1-dioxide
RN: 70367-99-6
InChIKey: KVGCVFNITCGHPC-UHFFFAOYSA-N

Classification Code

  • TSCA Flag P (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C27-H29-N-O12-S2

Molecular Weight

  • 623.6531
 
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Names and Synonyms

  • 1,2-Benzisothiazole-2(3H)-carboxylic acid, 3,3-bis(4-hydroxy-3,5-dimethoxyphenyl)-, 2-(methylsulfonyl)ethyl ester, 1,1-dioxide

Registry Numbers

CAS Registry Number

  • 70367-99-6

System Generated Number

  • 0070367996

Structure Descriptors

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

InChIKey

KVGCVFNITCGHPC-UHFFFAOYSA-N

Smiles

N1(S(=O)(=O)c2c(cccc2)C1(c1cc(c(c(c1)OC)O)OC)c1cc(c(c(c1)OC)O)OC)C(=O)OCCS(=O)(=O)C