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5-chlorobenzoate-cis-3,4-diol

PropertiesImage
MNX_IDMNXM9994 Image of MNXM9994
referencemetacycM:CPD-11220
formulaC7H6ClO4
global charge-1
mol weight189.574
InChIKeyGNYUNLRRAAQENB-NTSWFWBYSA-M
InChIInChI=1S/C7H7ClO4/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,5-6,9-10H,(H,11,12)/p-1/t5-,6+/m0/s1
SMILESO=C([O-])C1=C[C@H](O)[C@H](O)C(Cl)=C1
MNX internals
InChI (mnx)InChI=1/C7H7ClO4/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,5-6,9-10H,(H,11,12)/t5-,6+/m0/s1 Image of MNXM9994
SMILES (mnx)[CH:1]1=[C:4]([Cl:8])[C@@H:6]([OH:10])[C@@H:5]([OH:9])[CH:2]=[C:3]1[C:7](=[O:11])[OH:12]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-11220
metacycM:CPD-11220
GNYUNLRRAAQENB-NTSWFWBYSA-M 		5-chlorobenzoate-cis-3,4-diol
(3S,4S)-5-chloro-3,4-dihydroxycyclohexa-1,5-diene-1-carboxylate

seed.compound:cpd22893
seedM:cpd22893
GNYUNLRRAAQENB-NTSWFWBYSA-M 		1-carboxy-3-chloro-4,5-dihydroxycyclohexa-2,6-diene
(3S,4S)-5-chloro-3,4-dihydroxycyclohexa-1,5-diene-1-carboxylate
3-chlorobenzoate-cis-4,5-diol
5-chlorobenzoate-cis-3,4-diol

seedM:M_cpd22893 		secondary/obsolete/fantasy identifier