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 6 results

Search term: LEQXAJKTJWCXEC (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8219125

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H13IN2O4/c1-5-4-13(10(16)12-9(5)15)8-2-6(14)7(3-11)17-8/h4,6-8,14H,2-3H2,1H3,(H,12,15,16)/t6-,7+,8+/m0/s1
C10H13IN2O4352.1257231900
296222

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C10H13IN2O4/c1-5-4-13(10(16)12-9(5)15)8-2-6(14)7(3-11)17-8/h4,6-8,14H,2-3H2,1H3,(H,12,15,16)
C10H13IN2O4352.12576400
22937978

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H13IN2O4/c1-5-4-13(10(16)12-9(5)15)8-2-6(14)7(3-11)17-8/h4,6-8,14H,2-3H2,1H3,(H,12,15,16)/t6-,7-,8-/m1/s1
C10H13IN2O4352.12574400
29789387

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C10H13IN2O4/c1-5-4-13(10(16)12-9(5)15)8-2-6(14)7(3-11)17-8/h4,6-8,14H,2-3H2,1H3,(H,12,15,16)/t6?,7-,8-/m1/s1
C10H13IN2O4352.12571100
111308347

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H13IN2O4/c1-5-4-13(10(16)12-9(5)15)8-2-6(14)7(3-11)17-8/h4,6-8,14H,2-3H2,1H3,(H,12,15,16)/t6-,7-,8-/m0/s1
C10H13IN2O4352.12571100
111311965

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H13IN2O4/c1-5-4-13(10(16)12-9(5)15)8-2-6(14)7(3-11)17-8/h4,6-8,14H,2-3H2,1H3,(H,12,15,16)/t6-,7+,8+/m1/s1
C10H13IN2O4352.12571100

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