Matches any text strings used to describe a molecule.
Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID

Systematic names 1,2-dihydroxybenzene
Synonyms AIBN
Trade names Aspirin
Registry numbers 7732-18-5
SMILES O=C(OCC)C
InChl InChI=1/CH4/h1H4
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
Additional Filters

Found 7 results

Search term: FQSWTHMMNDRFAI (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
20145106

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C19H27NO6/c1-5-6-7-8-9-10-14(21)15-16(22)13(20(4)17(15)23)11-19(26,12(2)3)18(24)25/h7-10,12-13,21,26H,5-6,11H2,1-4H3,(H,24,25)/b8-7+,10-9+,15-14+
C19H27NO6365.420810800
28286991

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C19H27NO6/c1-5-6-7-8-9-10-14(21)15-16(22)13(20(4)17(15)23)11-19(26,12(2)3)18(24)25/h7-10,12-13,21,26H,5-6,11H2,1-4H3,(H,24,25)/b8-7+,10-9+,15-14-/t13-,19-/m0/s1
C19H27NO6365.42084400
113574292

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C19H27NO6/c1-5-6-7-8-9-10-14(21)15-16(22)13(20(4)17(15)23)11-19(26,12(2)3)18(24)25/h7-10,12-13,21,26H,5-6,11H2,1-4H3,(H,24,25)/b8-7u,10-9+,15-14u
C19H27NO6365.42082200
30649854

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C19H27NO6/c1-5-6-7-8-9-10-14(21)15-16(22)13(20(4)17(15)23)11-19(26,12(2)3)18(24)25/h7-10,12-13,21,26H,5-6,11H2,1-4H3,(H,24,25)/b8-7+,10-9+,15-14-/t13?,19-/m0/s1
C19H27NO6365.42081100
78440107

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C19H27NO6/c1-5-6-7-8-9-10-14(21)15-16(22)13(20(4)17(15)23)11-19(26,12(2)3)18(24)25/h7-10,12-13,21,26H,5-6,11H2,1-4H3,(H,24,25)/b8-7+,10-9+,15-14u/t13-,19?/m1/s1
C19H27NO6365.42081100
78440258

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C19H27NO6/c1-5-6-7-8-9-10-14(21)15-16(22)13(20(4)17(15)23)11-19(26,12(2)3)18(24)25/h7-10,12-13,21,26H,5-6,11H2,1-4H3,(H,24,25)/b8-7+,10-9+,15-14u/t13-,19-/m0/s1
C19H27NO6365.42081100
111085183

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C19H27NO6/c1-5-6-7-8-9-10-14(21)15-16(22)13(20(4)17(15)23)11-19(26,12(2)3)18(24)25/h7-10,12-13,21,26H,5-6,11H2,1-4H3,(H,24,25)/b8-7+,10-9+,15-14-
C19H27NO6365.42081100

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