Sulmarin

CAS Registry Number®

29334-07-4

CAS Name

Sulmarin

Molecular Formula

C10H8O10S2

Molecular Mass

352.29

Cite this Page

Sulmarin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=29334-07-4 (retrieved 2024-11-22) (CAS RN: 29334-07-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C10H8O10S2/c1-5-2-10(11)18-7-4-9(20-22(15,16)17)8(3-6(5)7)19-21(12,13)14/h2-4H,1H3,(H,12,13,14)(H,15,16,17)

InChIKey

InChIKey=SZNQDPUZKFSCNG-UHFFFAOYSA-N

SMILES

CC=1C=2C(=CC(OS(=O)(=O)O)=C(OS(=O)(=O)O)C2)OC(=O)C1

Canonical SMILES

O=C1OC=2C=C(OS(=O)(=O)O)C(OS(=O)(=O)O)=CC2C(=C1)C

Other Names for this Substance

  • 2H-1-Benzopyran-2-one, 4-methyl-6,7-bis(sulfooxy)-
  • Coumarin, 6,7-dihydroxy-4-methyl-, bis(hydrogen sulfate)
  • Esculetin, 4-methyl-, disulfate
  • 4-Methyl-6,7-bis(sulfooxy)-2H-1-benzopyran-2-one
  • 4-Methylesculetin-6,7-disulfonic acid

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