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 13 results

Search term: HOGVTUZUJGHKPL (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
58865

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C13H16N6O4/c1-18-11-7-5(10(14)17-18)2-19(12(7)16-4-15-11)13-9(22)8(21)6(3-20)23-13/h2,4,6,8-9,13,20-22H,3H2,1H3,(H2,14,17)/t6-,8-,9-,13-/m1/s1
C13H16N6O4320.3039847200
21475097

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C13H16N6O4/c1-18-11-7-5(10(14)17-18)2-19(12(7)16-4-15-11)13-9(22)8(21)6(3-20)23-13/h2,4,6,8-9,13,20-22H,3H2,1H3,(H2,14,17)/t6-,8?,9+,13-/m1/s1
C13H16N6O4320.30395600
2497197

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C13H16N6O4/c1-18-11-7-5(10(14)17-18)2-19(12(7)16-4-15-11)13-9(22)8(21)6(3-20)23-13/h2,4,6,8-9,13,20-22H,3H2,1H3,(H2,14,17)/t6-,8+,9-,13-/m0/s1
C13H16N6O4320.30393300
5145121

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C13H16N6O4/c1-18-11-7-5(10(14)17-18)2-19(12(7)16-4-15-11)13-9(22)8(21)6(3-20)23-13/h2,4,6,8-9,13,20-22H,3H2,1H3,(H2,14,17)/t6-,8-,9+,13+/m1/s1
C13H16N6O4320.30392100
5145851

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C13H16N6O4/c1-18-11-7-5(10(14)17-18)2-19(12(7)16-4-15-11)13-9(22)8(21)6(3-20)23-13/h2,4,6,8-9,13,20-22H,3H2,1H3,(H2,14,17)/t6?,8-,9+,13+/m1/s1
C13H16N6O4320.30392100
26360975

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C13H16N6O4/c1-18-11-7-5(10(14)17-18)2-19(12(7)16-4-15-11)13-9(22)8(21)6(3-20)23-13/h2,4,6,8-9,13,20-22H,3H2,1H3,(H2,14,17)/t6-,8+,9+,13+/m1/s1
C13H16N6O4320.30392200
62661393

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C13H16N6O4/c1-18-11-7-5(10(14)17-18)2-19(12(7)16-4-15-11)13-9(22)8(21)6(3-20)23-13/h2,4,6,8-9,13,20-22H,3H2,1H3,(H2,14,17)/t6-,8+,9+,13-/m1/s1
C13H16N6O4320.30392200
64872752

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C13H16N6O4/c1-18-11-7-5(10(14)17-18)2-19(12(7)16-4-15-11)13-9(22)8(21)6(3-20)23-13/h2,4,6,8-9,13,20-22H,3H2,1H3,(H2,14,17)/t6-,8?,9+,13-/m0/s1
C13H16N6O4320.30391100
114391359

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C13H16N6O4/c1-18-11-7-5(10(14)17-18)2-19(12(7)16-4-15-11)13-9(22)8(21)6(3-20)23-13/h2,4,6,8-9,13,20-22H,3H2,1H3,(H2,14,17)/t6-,8-,9+,13+/m0/s1
C13H16N6O4320.30391100
21211662

Charge

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C13H16N6O4/c1-18-11-7-5(10(14)17-18)2-19(12(7)16-4-15-11)13-9(22)8(21)6(3-20)23-13/h2,4,6,8-9,13,20-22H,3H2,1H3,(H2,14,17)/p+1/t6-,8-,9+,13+/m1/s1
C13H17N6O4321.31131200
24815520

Charge

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C13H16N6O4/c1-18-11-7-5(10(14)17-18)2-19(12(7)16-4-15-11)13-9(22)8(21)6(3-20)23-13/h2,4,6,8-9,13,20-22H,3H2,1H3,(H2,14,17)/p+1
C13H17N6O4321.31131100

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