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

Warning
Irritant (GHS07)

Aggregated from 137 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

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

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

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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