V000181
Methylene Blue hydrate
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About This Item
Empirical Formula (Hill Notation):
C16H18ClN3S · xH2O
CAS Number:
Molecular Weight:
319.85 (anhydrous basis)
EC Number:
200-515-2
UNSPSC Code:
12171500
PubChem Substance ID:
Beilstein/REAXYS Number:
3599847
MDL number:
InChI
1S/C16H18N3S.ClH.H2O/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13;;/h5-10H,1-4H3;1H;1H2/q+1;;/p-1
InChI key
WQVSELLRAGBDLX-UHFFFAOYSA-M
SMILES string
O.[Cl-].CN(C)c1ccc2N=C3C=C\C(C=C3Sc2c1)=[N+](/C)C
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