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: QQXLDOJGLXJCSE (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
71370

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C8H13NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-7H,2-5H2,1H3
C8H13NO139.194912719771311
393722


2 of 2 defined stereocentres - 2/2 defined
InChI=1/C8H13NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-7H,2-5H2,1H3/t6-,7+
C8H13NO139.1949636671202
608167

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C8H13NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-7H,2-5H2,1H3/p+1/t6-,7+
C8H14NO140.20235400
4479725

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C8H13NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-7H,2-5H2,1H3/t6-,7?/m1/s1
C8H13NO139.19493300
32780105

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C8H13NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-7H,2-5H2,1H3/t6-,7-/m1/s1
C8H13NO139.19493100
8550002

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C8H13NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-7H,2-5H2,1H3/t6-,7+/i1D3
C8H10D3NO142.21342100
2789160

Charge

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C8H13NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-7H,2-5H2,1H3/p+1
C8H14NO140.202862300
21423565

0 of 2 defined stereocentres - 0/2 defined

Non-standard isotope
InChI=1/C8H13NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-7H,2-5H2,1H3/i2D,3D
C8H11D2NO141.20721200
74999406

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C8H13NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-7H,2-5H2,1H3/t6-,7-/m0/s1
C8H13NO139.19491100

Advertisement