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Substance Name: Spiro(isobenzofuran-1(3H),9'-(9H)xanthene)-6-carboxylic acid, 3',6'-dihydroxy-3-oxo-, 2-((diposphonomethyl)amino)-2-oxoethyl ester, disodium salt
RN: 129279-24-9
InChIKey: HIDIIFZKQVYVMN-UHFFFAOYSA-L

Molecular Weight

  • 651.319
 
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Names and Synonyms

  • Spiro(isobenzofuran-1(3H),9'-(9H)xanthene)-6-carboxylic acid, 3',6'-dihydroxy-3-oxo-, 2-((diposphonomethyl)amino)-2-oxoethyl ester, disodium salt

Registry Numbers

CAS Registry Number

  • 129279-24-9

System Generated Number

  • 0129279249

Structure Descriptors

InChI

1S/C24H19NO14P2.2Na/c26-12-2-5-15-18(8-12)38-19-9-13(27)3-6-16(19)24(15)17-7-11(1-4-14(17)22(30)39-24)21(29)37-10-20(28)25-23(40(31,32)33)41(34,35)36;;/h1-9,23,26-27H,10H2,(H,25,28)(H2,31,32,33)(H2,34,35,36);;/q;2*+1/p-2

InChIKey

HIDIIFZKQVYVMN-UHFFFAOYSA-L

Smiles

[Na+].[Na+].C12(OC(c3ccc(cc13)C(=O)OCC(=O)N[C@@H](P(=O)([O-])[O-])P(=O)(O)O)=O)c1ccc(cc1Oc1cc(ccc21)O)O