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 6 results

Search term: GVRKWABULJAONN (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
7991576

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H18N2O4/c1-4(2)6(10)8(13)11-7(5(3)12)9(14)15/h4-7,12H,10H2,1-3H3,(H,11,13)(H,14,15)/t5-,6+,7+/m1/s1
C9H18N2O4218.2502292700
3262538

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C9H18N2O4/c1-4(2)6(10)8(13)11-7(5(3)12)9(14)15/h4-7,12H,10H2,1-3H3,(H,11,13)(H,14,15)
C9H18N2O4218.250210800
48883733

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C9H18N2O4/c1-4(2)6(10)8(13)11-7(5(3)12)9(14)15/h4-7,12H,10H2,1-3H3,(H,11,13)(H,14,15)/t5?,6-,7?/m1/s1
C9H18N2O4218.25022200
50732555

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C9H18N2O4/c1-4(2)6(10)8(13)11-7(5(3)12)9(14)15/h4-7,12H,10H2,1-3H3,(H,11,13)(H,14,15)/t5-,6?,7+/m1/s1
C9H18N2O4218.25021100
50732650

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H18N2O4/c1-4(2)6(10)8(13)11-7(5(3)12)9(14)15/h4-7,12H,10H2,1-3H3,(H,11,13)(H,14,15)/t5-,6-,7+/m1/s1
C9H18N2O4218.25021100
76612386

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C9H18N2O4/c1-4(2)6(10)8(13)11-7(5(3)12)9(14)15/h4-7,12H,10H2,1-3H3,(H,11,13)(H,14,15)/t5?,6-,7-/m0/s1
C9H18N2O4218.25021100

Advertisement