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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > salt > organic salt > organic sodium salt > dy-678
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > salt > alkali metal salt > sodium salt > organic sodium salt > dy-678

Preferred term

dy-678  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C43H45N2Na3O15S4

has_part

has_role

inchi

  • InChI=1S/C43H48N2O15S4.3Na/c1-42(2)27-31(28-63(54,55)56)33-25-34-30(23-38(29-11-5-4-6-12-29)60-39(34)26-37(33)45(42)20-10-22-62(51,52)53)13-7-14-40-43(3,18-8-15-41(46)47)35-24-32(64(57,58)59)16-17-36(35)44(40)19-9-21-61(48,49)50;;;/h4-7,11-14,16-17,23-27H,8-10,15,18-22,28H2,1-3H3,(H4-,46,47,48,49,50,51,52,53,54,55,56,57,58,59);;;/q;3*+1/p-3

inchikey

  • CGUPDXLATUWRRL-UHFFFAOYSA-K

mass

  • 1027.05100

monoisotopicmass

  • 1026.13959

smiles

  • [Na+].[Na+].[Na+].[H]C(=C([H])c1cc([o+]c2cc3N(CCCS([O-])(=O)=O)C(C)(C)C=C(CS([O-])(=O)=O)c3cc12)-c1ccccc1)C([H])=C1N(CCCS([O-])(=O)=O)c2ccc(cc2C1(C)CCCC(O)=O)S([O-])(=O)=O

subset

  • 3_STAR

synonym EXACT

  • trisodium 3-(3-carboxypropyl)-2-{3-[8,8-dimethyl-2-phenyl-6-(sulfonatomethyl)-9-(3-sulfonatopropyl)-8,9-dihydropyrano[3,2-g]quinolin-1-ium-4-yl]prop-2-en-1-ylidene}-3-methyl-1-(3-sulfonatopropyl)indoline-5-sulfonate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:51969

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