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5-Mercapto-2-nitrobenzoate

PropertiesImage
MNX_IDMNXM164344 Image of MNXM164344
referencesabiorkM:25425
formulaC7H5NO4S
global charge0
mol weight199.187
InChIKeyGANZODCWZFAEGN-UHFFFAOYSA-N
InChIInChI=1S/C7H5NO4S/c9-7(10)5-3-4(13)1-2-6(5)8(11)12/h1-3,13H,(H,9,10)
SMILESO=C(O)C1=C([N+](=O)[O-])C=CC(S)=C1
MNX internals
InChI (mnx)InChI=1/C7H5NO4S/c9-7(10)5-3-4(13)1-2-6(5)8(11)12/h1-3,13H,(H,9,10) Image of MNXM164344
SMILES (mnx)[CH:1]1=[CH:2][C:6]([N+:8]([O-:11])=[O:12])=[C:5]([C:7](=[O:9])[OH:10])[CH:3]=[C:4]1[SH:13]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

sabiork.compound:25425
sabiorkM:25425
GANZODCWZFAEGN-UHFFFAOYSA-N 		5-Mercapto-2-nitrobenzoate

sabiork.compound:30505
sabiorkM:30505
GANZODCWZFAEGN-UHFFFAOYSA-N 		2-Nitro-5-thiobenzoic acid
2-Nitro-5-sulfanylbenzoic acid
3-Carboxy-4-nitrobenzenethiol
hmdb:HMDB0245253
GANZODCWZFAEGN-UHFFFAOYSA-N 		5-Mercapto-2-nitro-benzoic acid
2-Nitro-5-mercaptobenzoic acid
2-Nitro-5-sulfanylbenzoate
2-Nitro-5-sulphanylbenzoate
2-Nitro-5-sulphanylbenzoic acid
2-Nitro-5-thiobenzoate
2-Nitro-5-thiobenzoic acid
2-nitro-5-sulfanylbenzoic acid
5-Mercapto-2-nitro-benzoate
5-Mercapto-2-nitrobenzoate
5-Thio-2-nitrobenzoic acid
NTB CPD
Thionitrobenzoate
Thionitrobenzoic acid
Thionitrobenzoic acid, ion (1-)
thionitrobenzoate