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: IMSOBGJSYSFTKG (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
27220

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C9H19N3O4/c10-6(8(13)14)3-1-2-4-12-5-7(11)9(15)16/h6-7,12H,1-5,10-11H2,(H,13,14)(H,15,16)/t6-,7?/m0/s1
C9H19N3O4233.2649243100
382126

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C9H19N3O4/c10-6(8(13)14)3-1-2-4-12-5-7(11)9(15)16/h6-7,12H,1-5,10-11H2,(H,13,14)(H,15,16)
C9H19N3O4233.26491610800
153716

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C9H19N3O4/c10-6(8(13)14)3-1-2-4-12-5-7(11)9(15)16/h6-7,12H,1-5,10-11H2,(H,13,14)(H,15,16)/t6-,7+/m0/s1
C9H19N3O4233.2649121100
5360423

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C9H19N3O4/c10-6(8(13)14)3-1-2-4-12-5-7(11)9(15)16/h6-7,12H,1-5,10-11H2,(H,13,14)(H,15,16)/t6-,7-/m0/s1
C9H19N3O4233.264910900
5360424

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C9H19N3O4/c10-6(8(13)14)3-1-2-4-12-5-7(11)9(15)16/h6-7,12H,1-5,10-11H2,(H,13,14)(H,15,16)/p+1/t6-,7+/m0/s1
C9H20N3O4234.27231100
75223686

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C9H19N3O4/c10-6(8(13)14)3-1-2-4-12-5-7(11)9(15)16/h6-7,12H,1-5,10-11H2,(H,13,14)(H,15,16)/t6-,7+/m1/s1
C9H19N3O4233.26491100
78474536

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C9H19N3O4/c10-6(8(13)14)3-1-2-4-12-5-7(11)9(15)16/h6-7,12H,1-5,10-11H2,(H,13,14)(H,15,16)/t6-,7?/m1/s1
C9H19N3O4233.26491100
5360422

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C9H19N3O4/c10-6(8(13)14)3-1-2-4-12-5-7(11)9(15)16/h6-7,12H,1-5,10-11H2,(H,13,14)(H,15,16)/p+1/t6-,7-/m0/s1
C9H20N3O4234.27231100

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