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: ASOJEESZSWWNQK (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8641715

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H12N2O5/c12-3-7-5(13)1-6(16-7)4-2-10-9(15)11-8(4)14/h2,5-7,12-13H,1,3H2,(H2,10,11,14,15)/t5-,6+,7+/m0/s1
C9H12N2O5228.202282700
510634

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C9H12N2O5/c12-3-7-5(13)1-6(16-7)4-2-10-9(15)11-8(4)14/h2,5-7,12-13H,1,3H2,(H2,10,11,14,15)
C9H12N2O5228.2026800
22937992

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H12N2O5/c12-3-7-5(13)1-6(16-7)4-2-10-9(15)11-8(4)14/h2,5-7,12-13H,1,3H2,(H2,10,11,14,15)/t5-,6-,7-/m1/s1
C9H12N2O5228.2025500
29789426

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C9H12N2O5/c12-3-7-5(13)1-6(16-7)4-2-10-9(15)11-8(4)14/h2,5-7,12-13H,1,3H2,(H2,10,11,14,15)/t5?,6-,7-/m1/s1
C9H12N2O5228.2022200
10582102

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H12N2O5/c12-3-7-5(13)1-6(16-7)4-2-10-9(15)11-8(4)14/h2,5-7,12-13H,1,3H2,(H2,10,11,14,15)/t5-,6-,7+/m0/s1
C9H12N2O5228.2022200
114553782

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H12N2O5/c12-3-7-5(13)1-6(16-7)4-2-10-9(15)11-8(4)14/h2,5-7,12-13H,1,3H2,(H2,10,11,14,15)/t5-,6+,7+/m1/s1
C9H12N2O5228.2021100

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