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Substance Name: Glycine, N,N'-((3',6'-dihydroxy-3-oxospiro(isobenzofuran-1(3H),9'-(9H)xanthene)-4',5'-diyl)bis(methylene))bis(N-(carboxymethyl)-, calcium potassium salt (2:5:2)
RN: 36352-49-5
InChIKey: QIYLZCICMAIZDA-UHFFFAOYSA-N

Molecular Formula

  • C30-H26-N2-O13.5/2Ca.K

Molecular Weight

  • 1523.66
 
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Names and Synonyms

Synonym

  • EINECS 252-990-0

Systematic Names

  • Dipotassium pentacalcium tetrahydrogen bis(N,N'-((3',6'-dihydroxy-3-oxospiro(isobenzofuran-1(3H),9'-(9H)xanthene)-4',5'-diyl)bis(methylene))bis(N-(carboxylatomethyl)aminoacetate))
  • Glycine, N,N'-((3',6'-dihydroxy-3-oxospiro(isobenzofuran-1(3H),9'-(9H)xanthene)-4',5'-diyl)bis(methylene))bis(N-(carboxymethyl)-, calcium potassium salt (2:5:2)

Registry Numbers

CAS Registry Number

  • 36352-49-5

System Generated Number

  • 0036352495

Molecular Formulas

Molecular Formula

  • C30-H26-N2-O13.5/2Ca.K

Molecular Formula Fragments

  • C30-H26-N2-O13
  • Ca
  • COMPONENT
  • K

Structure Descriptors

InChI

1S/2C30H26N2O13.5Ca.2K/c2*33-21-7-5-19-27(16(21)9-31(11-23(35)36)12-24(37)38)44-28-17(10-32(13-25(39)40)14-26(41)42)22(34)8-6-20(28)30(19)18-4-2-1-3-15(18)29(43)45-30;;;;;;;/h2*1-8,33-34H,9-14H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42);;;;;;;

InChIKey

QIYLZCICMAIZDA-UHFFFAOYSA-N

Smiles

C12(OC(c3ccccc13)=O)c1ccc(c(c1Oc1c(c(ccc21)O)CN(CC(=O)O)CC(=O)O)CN(CC(=O)O)CC(=O)O)O.[Ca].[K].C12(OC(c3ccccc13)=O)c1ccc(c(c1Oc1c(c(ccc21)O)CN(CC(=O)O)CC(=O)O)CN(CC(=O)O)CC(=O)O)O.[Ca].[Ca].[Ca].[Ca].[K]