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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:82471 - Guinea Green B
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ChEBI Ontology
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ChEBI Name
Guinea Green B
ChEBI ID
CHEBI:82471
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Formula
C37H35N2Na2O6S2
Net Charge
+1
Average Mass
713.79300
Monoisotopic Mass
713.17264
InChI
InChI=1S/C37H36N2O6S2.2Na/c1-
3-
38(26-
28-
10-
8-
14-
35(24-
28)
46(40,41)
42)
33-
20-
16-
31(17-
21-
33)
37(30-
12-
6-
5-
7-
13-
30)
32-
18-
22-
34(23-
19-
32)
39(4-
2)
27-
29-
11-
9-
15-
36(25-
29)
47(43,44)
45;;/h5-
25H,3-
4,26-
27H2,1-
2H3,(H-
,40,41,42,43,44,45)
;;/q;2*+1/p-
1
InChIKey
SYLHZUASBDQZLR-UHFFFAOYSA-M
SMILES
[Na+]
.[Na+]
.CCN(Cc1cccc(c1)
S([O-
]
)
(=O)
=O)
c1ccc(cc1)
C(c1ccccc1)
=C1C=CC(C=C1)
=[N+]
(CC)
Cc1cccc(c1)
S([O-
]
)
(=O)
=O
ChEBI Ontology
Outgoing
Guinea Green B (
CHEBI:82471
)
is a
organic molecular entity (
CHEBI:50860
)
Synonym
Source
C.I. Acid Green 3
KEGG COMPOUND
Manual Xref
Database
C19428
KEGG COMPOUND
View more database links
Registry Number
Type
Source
4680-78-8
CAS Registry Number
KEGG COMPOUND