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 18 results

Search term: ZPTBLXKRQACLCR (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
85115

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H14N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h4,6-8,12,14-15H,1-3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1
C9H14N2O6246.21735517926739
284888

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C9H14N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h4,6-8,12,14-15H,1-3H2,(H,10,13,16)
C9H14N2O6246.21731019900
58806596

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H14N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h4,6-8,12,14-15H,1-3H2,(H,10,13,16)/t4-,6-,7+,8-/m1/s1
C9H14N2O6246.21736500
17215959

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H14N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h4,6-8,12,14-15H,1-3H2,(H,10,13,16)/t4-,6-,7-,8-/m0/s1
C9H14N2O6246.2173213027
22898087

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C9H14N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h4,6-8,12,14-15H,1-3H2,(H,10,13,16)/t4-,6-,7+,8?/m1/s1
C9H14N2O6246.21732100
24653310

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C9H14N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h4,6-8,12,14-15H,1-3H2,(H,10,13,16)/t4-,6-,7-,8?/m1/s1
C9H14N2O6246.21732200
32681323

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C9H14N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h4,6-8,12,14-15H,1-3H2,(H,10,13,16)/t4-,6?,7?,8-/m0/s1
C9H14N2O6246.21732100
34977853

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H14N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h4,6-8,12,14-15H,1-3H2,(H,10,13,16)/t4-,6-,7-,8+/m1/s1
C9H14N2O6246.21731100
17248914

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C9H14N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h4,6-8,12,14-15H,1-3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1/i1D2
C9H12D2N2O6248.22961100
113606485

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H14N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h4,6-8,12,14-15H,1-3H2,(H,10,13,16)/t4-,6-,7+,8+/m0/s1
C9H14N2O6246.21731100
113606723

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H14N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h4,6-8,12,14-15H,1-3H2,(H,10,13,16)/t4-,6-,7+,8+/m1/s1
C9H14N2O6246.21731100
113607071

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H14N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h4,6-8,12,14-15H,1-3H2,(H,10,13,16)/t4-,6-,7+,8-/m0/s1
C9H14N2O6246.21731100
113607359

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H14N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h4,6-8,12,14-15H,1-3H2,(H,10,13,16)/t4-,6-,7-,8+/m0/s1
C9H14N2O6246.21731100
128924632

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C9H14N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h4,6-8,12,14-15H,1-3H2,(H,10,13,16)/t4-,6+,7-,8-/m1/s1/i1D,3+1,4+1,6+1,7+1,8+1/t1?,4-,6+,7-,8-
C413C5H13DN2O6252.18671100
128924799

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H14N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h4,6-8,12,14-15H,1-3H2,(H,10,13,16)/t4-,6+,7-,8-/m0/s1
C9H14N2O6246.21731100
128924845

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H14N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h4,6-8,12,14-15H,1-3H2,(H,10,13,16)/t4-,6+,7-,8-/m1/s1
C9H14N2O6246.21731200
128925707

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C9H14N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h4,6-8,12,14-15H,1-3H2,(H,10,13,16)/t4-,6+,7-,8-/m1/s1/i1D,2D/t1?,2?,4-,6+,7-,8-
C9H12D2N2O6248.22961100
128925741

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H14N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h4,6-8,12,14-15H,1-3H2,(H,10,13,16)/t4-,6+,7-,8+/m1/s1
C9H14N2O6246.21731100

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