chempirical

Sodium 3,5-bis(methoxycarbonyl)benzenesulfonate

C10H9NaO7SCAS 3965-55-7296.22 g/mol

Open in Covalent MOL file
OOOOSO−OONa+
EsterSulfonic acid

Properties

Molecular formula
C10H9NaO7S
Molar mass
296.22 g/mol
Exact mass
295.9967 Da
logP
0.13Crippen estimate
Polar surface area
107.0 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
3965-55-7
SMILES
COC(=O)c1cc(C(=O)OC)cc(S([O-])(=O)=O)c1.[Na+]
InChIKey
YYYWHHMCKHITRA-UHFFFAOYSA-N
InChI
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);

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

21 names · show all
  • 1,3-Benzenedicarboxylic acid, 5-sulfo-, 1,3-dimethyl ester, sodium salt (1:1)
  • Isophthalic acid, 5-sulfo-, 1,3-dimethyl ester, sodium salt
  • 1,3-Benzenedicarboxylic acid, 5-sulfo-, 1,3-dimethyl ester, sodium salt
  • 3,5-Bis(carbomethoxy)benzenesulfonic acid sodium salt
  • Sodium dimethyl 5-sulfoisophthalate
  • Dimethyl 5-(sodiosulfo)isophthalate
  • Dimethyl sodium 5-sulfoisophthalate
  • Sodium 3,5-di(carbomethoxy)benzenesulfonate
  • Dimethyl 5-sulfoisophthalate sodium salt
  • 3,5-Di(carbomethoxy)benzenesulfonic acid sodium salt
  • Dimethyl sulfoisophthalate sodium salt
  • 5-Sulfoisophthalic acid dimethyl ester sodium salt
  • Sodium 3,5-(dimethoxycarbonyl)benzenesulfonate
  • Sodium 3,5-bis(carbomethoxy)benzenesulfonate
  • Sodium 5-sulfoisophthalic acid dimethyl ester
  • AD 2100T
  • Ukanol DM sip
  • DM Sip
  • AD 2100
  • SIPM
  • Sodium dimethyl 5-sulfonatoisophthalate

Work with Sodium 3,5-bis(methoxycarbonyl)benzenesulfonate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Trimethyl benzene-1,3,5-tricarboxylate2672-58-458 % similar Dimethyl 5-bromoisophthalate51760-21-550 % similar Sodium methylparaben5026-62-049 % similar Dimethyl 5-hydroxyisophthalate13036-02-749 % similar Dimethyl 5-chloroisophthalate20330-90-949 % similar Dimethyl 5-iodoisophthalate51839-15-749 % similar 5-Aminoisophthalic acid dimethyl ester99-27-449 % similar Dimethyl isophthalate1459-93-447 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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