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Chemistry, part 2

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > dipolar compound > zwitterion > onium betaine > oxonium betaine > dy-635
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > dipolar compound > zwitterion > onium betaine > oxonium betaine > dy-635

Preferred term

dy-635  

Type

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

Broader concept

charge

  • 0

formula

  • C38H46N2O6S

has_role

inchi

  • InChI=1S/C38H46N2O6S/c1-37(2,3)33-23-25(29-22-26-13-10-19-39-20-11-14-28(35(26)39)36(29)46-33)12-9-15-32-38(4,5)30-24-27(47(43,44)45)17-18-31(30)40(32)21-8-6-7-16-34(41)42/h9,12,15,17-18,22-24H,6-8,10-11,13-14,16,19-21H2,1-5H3,(H-,41,42,43,44,45)

inchikey

  • XWNKYHHWGYBOJU-UHFFFAOYSA-N

mass

  • 658.84772

monoisotopicmass

  • 658.30766

smiles

  • [H]C(=C([H])c1cc([o+]c2c3CCCN4CCCc(cc12)c34)C(C)(C)C)C([H])=C1N(CCCCCC(O)=O)c2ccc(cc2C1(C)C)S([O-])(=O)=O

subset

  • 3_STAR

synonym EXACT

  • 2-[3-(11-tert-butyl-2,3,6,7-tetrahydro-1H,5H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-12-ium-9-yl)prop-2-en-1-ylidene]-1-(5-carboxypentyl)-3,3-dimethylindoline-5-sulfonate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:51951

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