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 14 results

Search term: YSMODUONRAFBET (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2297721

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C6H14N2O3/c7-3-4(9)1-2-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)/t4-,5+/m1/s1
C6H14N2O3162.1875212900
1002

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C6H14N2O3/c7-3-4(9)1-2-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)
C6H14N2O3162.18745843713
388546

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C6H14N2O3/c7-3-4(9)1-2-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)/t4-,5-/m0/s1
C6H14N2O3162.187181500
75093

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C6H14N2O3/c7-3-4(9)1-2-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)/t4?,5-/m0/s1
C6H14N2O3162.187165358
5362823

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C6H14N2O3/c7-3-4(9)1-2-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)/t4-,5-/m1/s1
C6H14N2O3162.1878600
5362820

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C6H14N2O3/c7-3-4(9)1-2-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)/t4-,5+/m0/s1
C6H14N2O3162.1874200
5362821

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C6H14N2O3/c7-3-4(9)1-2-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)/p+1/t4-,5+/m1/s1
C6H15N2O3163.19443200
5362819

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C6H14N2O3/c7-3-4(9)1-2-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)/p+1/t4-,5+/m0/s1
C6H15N2O3163.19442100
75094

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C6H14N2O3/c7-3-4(9)1-2-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)/t4?,5-/m1/s1
C6H14N2O3162.1872200
5360263

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C6H14N2O3/c7-3-4(9)1-2-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)/p+1/t4-,5-/m0/s1
C6H15N2O3163.19441100
5362822

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C6H14N2O3/c7-3-4(9)1-2-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)/p+1/t4-,5-/m1/s1
C6H15N2O3163.19441100
26332941

Charge

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C6H14N2O3/c7-3-4(9)1-2-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)/p-1
C6H13N2O3161.17961100
74092746

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C6H14N2O3/c7-3-4(9)1-2-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)/t4-,5?/m1/s1
C6H14N2O3162.1871100

Advertisement