Concept information
Preferred term
NSC 56820
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C32H27N3O9S3
inchi
- InChI=1S/C32H27N3O9S3/c1-20-18-23(19-30(32(20)33)47(42,43)44)31(21-2-6-24(7-3-21)34-26-10-14-28(15-11-26)45(36,37)38)22-4-8-25(9-5-22)35-27-12-16-29(17-13-27)46(39,40)41/h2-19,34H,33H2,1H3,(H,36,37,38)(H,39,40,41)(H,42,43,44)/b31-22-,35-25?
inchikey
- WXESCRGMRLUOGU-LNLDCESDSA-N
is_conjugate_acid_of
mass
- 693.76600
monoisotopicmass
- 693.09094
smiles
- Cc1cc(cc(c1N)S(O)(=O)=O)C(=C1C=CC(C=C1)=Nc1ccc(cc1)S(O)(=O)=O)c1ccc(Nc2ccc(cc2)S(O)(=O)=O)cc1
subset
- 3_STAR
synonym EXACT
- 2-amino-3-methyl-5-({4-[(4-sulfophenyl)amino]phenyl}{4-[(4-sulfophenyl)imino]cyclohexa-2,5-dien-1-ylidene}methyl)benzenesulfonic acid
synonym RELATED
- water blue (acid form)
In other languages
-
English
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:86247
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