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Substance Name: Sodium 1,3-dimethyl 5-sulfoisophthalate
RN: 3965-55-7
UNII: 7L3G5X9VDU
InChIKey: LLHSEQCZSNZLRI-UHFFFAOYSA-M

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C10-H10-O7-S.Na

Molecular Weight

  • 296.23
 
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Names and Synonyms

Name of Substance

  • Sodium 1,3-dimethyl 5-sulfoisophthalate

Synonyms

  • 3,5-Bis(methoxycarbonyl)benzenesulfonic acid sodium salt
  • 3,5-Bis-(methoxykarbonyl)benzensulfonan sodny
  • 3,5-Bis-(methoxykarbonyl)benzensulfonan sodny [Czech]
  • 3,5-Bis-methylkarboxy-benzensulfonan sodny
  • 3,5-Bis-methylkarboxy-benzensulfonan sodny [Czech]
  • 5-Sulfoisophthalic acid, dimethyl ester, sodium salt
  • EC 223-578-8
  • EINECS 223-578-8
  • Isophthalic acid, 5-sulfo-, 1,3-dimethyl ester, sodium salt
  • Sodium 1,3-dimethyl 5-sulfoisophthalate
  • UNII-7L3G5X9VDU

Systematic Names

  • 1,3-Benzenedicarboxylic acid, 5-sulfo-, 1,3-dimethyl ester, sodium salt
  • 1,3-Benzenedicarboxylic acid, 5-sulfo-, 1,3-dimethyl ester, sodium salt (1:1)
  • Benzenesulfonic acid, 3,5-bis(methoxycarbonyl)-, sodium salt
  • Sodium dimethyl 5-sulphonatoisophthalate

Superlist Name

  • Isophthalic acid, 5-sulfo-, 1,3-dimethyl ester, sodium salt

Registry Numbers

CAS Registry Number

  • 3965-55-7

FDA UNII

  • 7L3G5X9VDU

Other Registry Numbers

  • 219662-81-4
  • 221136-58-9
  • 442512-05-2
  • 50974-97-5
  • 51778-93-9
  • 56660-04-9
  • 67076-13-5
  • 76796-13-9

System Generated Number

  • 0003965557

Molecular Formulas

Molecular Formula

  • C10-H10-O7-S.Na

Molecular Formula Fragments

  • C10-H10-O7-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C10H10O7S.Na/c1-16-9(11)6-3-7(10(12)17-2)5-8(4-6)18(13,14)15;/h3-5H,1-2H3,(H,13,14,15);/q;+1/p-1

InChIKey

LLHSEQCZSNZLRI-UHFFFAOYSA-M

Smiles

c1(cc(C(=O)OC)cc(c1)C(=O)OC)S([O-])(=O)=O.[Na+]