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Chemistry, part 3

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > cyanine dye > cy2 dye
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organonitrogen compound > cyanine dye > cy2 dye

Preferred term

cy2 dye  

Type

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

Broader concept

charge

  • 0

formula

  • C29H32N2O12S2

has_role

inchi

  • InChI=1S/C29H32N2O12S2/c32-28(33)10-3-1-5-16-30-22-14-12-20(44(36,37)38)18-24(22)42-26(30)8-7-9-27-31(17-6-2-4-11-29(34)35)23-15-13-21(45(39,40)41)19-25(23)43-27/h7-9,12-15,18-19H,1-6,10-11,16-17H2,(H3-,32,33,34,35,36,37,38,39,40,41)

inchikey

  • CUMZIUDGEWDTIL-UHFFFAOYSA-N

mass

  • 664.70100

monoisotopicmass

  • 664.13967

smiles

  • [H]C(=Cc1oc2cc(ccc2[n+]1CCCCCC(O)=O)S([O-])(=O)=O)C([H])=C1Oc2cc(ccc2N1CCCCCC(O)=O)S(O)(=O)=O

subset

  • 3_STAR

synonym EXACT

  • 3-(6-carboxyhexyl)-2-{3-[3-(5-carboxypentyl)-6-sulfo-1,3-benzoxazol-3-ium-2-yl]prop-2-en-1-ylidene}-2,3-dihydro-1,3-benzoxazole-6-sulfonate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:52302

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