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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > ion > anion > organic anion > organosulfonate oxoanion > dy-682(2-)
... > chemical entity > molecular entity > ion > organic ion > organic anion > organosulfonate oxoanion > dy-682(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-682(2-)

Preferred term

dy-682(2-)  

Type

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

Broader concept

Narrower concepts

charge

  • -2

formula

  • C37H46N2O12S3

inchi

  • InChI=1S/C37H48N2O12S3/c1-6-38(19-9-21-52(42,43)44)26-14-16-29-30(36(2,3)4)24-27(51-33(29)23-26)11-7-12-34-37(5,18-8-13-35(40)41)31-25-28(54(48,49)50)15-17-32(31)39(34)20-10-22-53(45,46)47/h7,11-12,14-17,23-25H,6,8-10,13,18-22H2,1-5H3,(H3-,40,41,42,43,44,45,46,47,48,49,50)/p-2

inchikey

  • VQKCHRPCNVKMJE-UHFFFAOYSA-L

mass

  • 806.96200

monoisotopicmass

  • 806.22239

smiles

  • [H]C(=C([H])c1cc(c2ccc(cc2[o+]1)N(CC)CCCS([O-])(=O)=O)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-{4-tert-butyl-7-[ethyl(3-sulfonatopropyl)amino]chromenium-2-yl}prop-2-en-1-ylidene)-3-(3-carboxypropyl)-3-methyl-1-(3-sulfonatopropyl)indoline-5-sulfonate

synonym RELATED

  • DY-682 dianion

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:63296

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