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Chemistry, part 2

Content language

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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > diarylmethane > c.i. acid blue 3
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic aromatic compound > diarylmethane > c.i. acid blue 3
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > diarylmethane > c.i. acid blue 3

Preferred term

c.i. acid blue 3  

Type

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

Broader concept

charge

  • 0

formula

  • C27H31N2O7S2.C27H31N2O7S2.Ca

inchi

  • InChI=1S/2C27H32N2O7S2.Ca/c2*1-5-28(6-2)21-13-9-19(10-14-21)27(20-11-15-22(16-12-20)29(7-3)8-4)23-17-24(30)26(38(34,35)36)18-25(23)37(31,32)33;/h2*9-18H,5-8H2,1-4H3,(H2-,30,31,32,33,34,35,36);/q;;+2/p-2

inchikey

  • RTMBGDBBDQKNNZ-UHFFFAOYSA-L

mass

  • 1159.420

monoisotopicmass

  • 1158.27713

smiles

  • [Ca+2].S([O-])(=O)(=O)C=1C(C(C2=CC=C(N(CC)CC)C=C2)=C3C=CC(=[N+](CC)CC)C=C3)=CC(O)=C(S([O-])(=O)=O)C1.S([O-])(=O)(=O)C=1C(C(C2=CC=C(N(CC)CC)C=C2)=C3C=CC(=[N+](CC)CC)C=C3)=CC(O)=C(S([O-])(=O)=O)C1

subset

  • 2_STAR

synonym EXACT

  • calcium.4-[[4-(diethylamino)phenyl]-(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]-6-hydroxybenzene-1,3-disulonate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:187511

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