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 8 results

Search term: BCAWWPAPHSAUQZ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
397796

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C9H12N2O5/c1-5-2-11(9(14)10-8(5)13)6-4-15-7(3-12)16-6/h2,6-7,12H,3-4H2,1H3,(H,10,13,14)/t6-,7-/m1/s1
C9H12N2O5228.202121100
7989090

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C9H12N2O5/c1-5-2-11(9(14)10-8(5)13)6-4-15-7(3-12)16-6/h2,6-7,12H,3-4H2,1H3,(H,10,13,14)
C9H12N2O5228.202121720
399958

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C9H12N2O5/c1-5-2-11(9(14)10-8(5)13)6-4-15-7(3-12)16-6/h2,6-7,12H,3-4H2,1H3,(H,10,13,14)/t6-,7-/m0/s1
C9H12N2O5228.202111000
399894

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C9H12N2O5/c1-5-2-11(9(14)10-8(5)13)6-4-15-7(3-12)16-6/h2,6-7,12H,3-4H2,1H3,(H,10,13,14)/t6-,7+/m0/s1
C9H12N2O5228.2029800
400831

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C9H12N2O5/c1-5-2-11(9(14)10-8(5)13)6-4-15-7(3-12)16-6/h2,6-7,12H,3-4H2,1H3,(H,10,13,14)/t6-,7+/m1/s1
C9H12N2O5228.2028700
7991741

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C9H12N2O5/c1-5-2-11(9(14)10-8(5)13)6-4-15-7(3-12)16-6/h2,6-7,12H,3-4H2,1H3,(H,10,13,14)/t6?,7-/m0/s1
C9H12N2O5228.2022100
98608908

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C9H12N2O5/c1-5-2-11(9(14)10-8(5)13)6-4-15-7(3-12)16-6/h2,6-7,12H,3-4H2,1H3,(H,10,13,14)/t6?,7-/m1/s1
C9H12N2O5228.2021100
114394393

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C9H12N2O5/c1-5-2-11(9(14)10-8(5)13)6-4-15-7(3-12)16-6/h2,6-7,12H,3-4H2,1H3,(H,10,13,14)/t6-,7-/m1/s1/i1T
C9H11TN2O5230.21011100

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