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 16 results

Search term: DEFJQIDDEAULHB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
581

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)
C6H12N2O3160.17111071672042
4573916

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)/t3-,4-/m1/s1
C6H12N2O3160.171187210628181
4588478

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)/t3-,4-/m0/s1
C6H12N2O3160.17118613379107
87396

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)/t3-,4+/m0/s1
C6H12N2O3160.1711464300
388482

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)/t3-,4+/m1/s1
C6H12N2O3160.171141481853
24589535

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)/t3?,4-/m0/s1
C6H12N2O3160.1711352882109
16787436

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)/t3?,4-/m1/s1
C6H12N2O3160.171186635186
16788239

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)/t3-,4?/m1/s1
C6H12N2O3160.171175543
4411202

Charge

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)/p+1
C6H13N2O3161.179021100
67025172

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)/t3-,4-/m1/s1/i/hD
C6H11DN2O3161.17721100
114394309

1 of 2 defined stereocentres - 1/2 defined

Non-standard isotope
InChI=1/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)/t3-,4?/m1/s1/i2T3,4T
C6H8T4N2O3168.20351100

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