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: QOOWRKBDDXQRHC (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5374071

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C9H19N3O3/c1-6(9(14)15)12-8(13)7(11)4-2-3-5-10/h6-7H,2-5,10-11H2,1H3,(H,12,13)(H,14,15)/t6-,7-/m0/s1
C9H19N3O3217.26552227115
3319994

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C9H19N3O3/c1-6(9(14)15)12-8(13)7(11)4-2-3-5-10/h6-7H,2-5,10-11H2,1H3,(H,12,13)(H,14,15)
C9H19N3O3217.2655141642480
24223308

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C9H19N3O3/c1-6(9(14)15)12-8(13)7(11)4-2-3-5-10/h6-7H,2-5,10-11H2,1H3,(H,12,13)(H,14,15)/t6-,7+/m1/s1
C9H19N3O3217.265591000
75144251

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C9H19N3O3/c1-6(9(14)15)12-8(13)7(11)4-2-3-5-10/h6-7H,2-5,10-11H2,1H3,(H,12,13)(H,14,15)/t6?,7-/m1/s1
C9H19N3O3217.26551100
78076158

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C9H19N3O3/c1-6(9(14)15)12-8(13)7(11)4-2-3-5-10/h6-7H,2-5,10-11H2,1H3,(H,12,13)(H,14,15)/t6-,7-/m1/s1
C9H19N3O3217.26551100
120959521

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C9H19N3O3/c1-6(9(14)15)12-8(13)7(11)4-2-3-5-10/h6-7H,2-5,10-11H2,1H3,(H,12,13)(H,14,15)/t6-,7?/m0/s1
C9H19N3O3217.26551100
5374070

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C9H19N3O3/c1-6(9(14)15)12-8(13)7(11)4-2-3-5-10/h6-7H,2-5,10-11H2,1H3,(H,12,13)(H,14,15)/p+1/t6-,7-/m0/s1
C9H20N3O3218.27291100

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