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 9 results

Search term: LIWMQSWFLXEGMA (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
87399

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C8H16N2O3/c1-4(2)6(8(12)13)10-7(11)5(3)9/h4-6H,9H2,1-3H3,(H,10,11)(H,12,13)/t5-,6-/m0/s1
C8H16N2O3188.22426378734
120970

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C8H16N2O3/c1-4(2)6(8(12)13)10-7(11)5(3)9/h4-6H,9H2,1-3H3,(H,10,11)(H,12,13)
C8H16N2O3188.2242636123
5360517

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C8H16N2O3/c1-4(2)6(8(12)13)10-7(11)5(3)9/h4-6H,9H2,1-3H3,(H,10,11)(H,12,13)/t5-,6+/m1/s1
C8H16N2O3188.22426500
5360519

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C8H16N2O3/c1-4(2)6(8(12)13)10-7(11)5(3)9/h4-6H,9H2,1-3H3,(H,10,11)(H,12,13)/t5-,6-/m1/s1
C8H16N2O3188.22426600
5360522

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C8H16N2O3/c1-4(2)6(8(12)13)10-7(11)5(3)9/h4-6H,9H2,1-3H3,(H,10,11)(H,12,13)/t5-,6+/m0/s1
C8H16N2O3188.22425500
39066816

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C8H16N2O3/c1-4(2)6(8(12)13)10-7(11)5(3)9/h4-6H,9H2,1-3H3,(H,10,11)(H,12,13)/t5-,6?/m1/s1
C8H16N2O3188.22423300
48876341

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C8H16N2O3/c1-4(2)6(8(12)13)10-7(11)5(3)9/h4-6H,9H2,1-3H3,(H,10,11)(H,12,13)/t5?,6-/m1/s1
C8H16N2O3188.22422200
115068630

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C8H16N2O3/c1-4(2)6(8(12)13)10-7(11)5(3)9/h4-6H,9H2,1-3H3,(H,10,11)(H,12,13)/t5?,6-/m0/s1
C8H16N2O3188.22421100

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