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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > ion > anion > organic anion > organosulfonate oxoanion > dy-652(2-)
... > chemical entity > molecular entity > ion > organic ion > organic anion > organosulfonate oxoanion > dy-652(2-)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic ion > organic anion > organosulfonate oxoanion > dy-652(2-)

Preferred term

dy-652(2-)  

Type

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

Broader concept

charge

  • -2

formula

  • C41H50N2O12S3

inchi

  • InChI=1S/C41H52N2O12S3/c1-27-26-40(5,6)43(19-11-21-57(49,50)51)34-25-35-31(24-30(27)34)28(22-37(55-35)39(2,3)4)12-8-13-36-41(7,17-9-14-38(44)45)32-23-29(58(52,53)54)15-16-33(32)42(36)18-10-20-56(46,47)48/h8,12-13,15-16,22-26H,9-11,14,17-21H2,1-7H3,(H3-,44,45,46,47,48,49,50,51,52,53,54)/p-2

inchikey

  • XHZRLIGGRMVDJI-UHFFFAOYSA-L

mass

  • 859.03700

monoisotopicmass

  • 858.25369

smiles

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

subset

  • 3_STAR

synonym EXACT

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

synonym RELATED

  • DY-652 dianion

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:63293

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