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: KRKRAOXTGDJWNI (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
86558

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C6H11NO4/c1-3(5(8)9)2-4(7)6(10)11/h3-4H,2,7H2,1H3,(H,8,9)(H,10,11)/t3-,4+/m1/s1
C6H11NO4161.1558535803
5172

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C6H11NO4/c1-3(5(8)9)2-4(7)6(10)11/h3-4H,2,7H2,1H3,(H,8,9)(H,10,11)
C6H11NO4161.1558404017123
2496886

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C6H11NO4/c1-3(5(8)9)2-4(7)6(10)11/h3-4H,2,7H2,1H3,(H,8,9)(H,10,11)/t3-,4-/m0/s1
C6H11NO4161.1558343102
389786

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C6H11NO4/c1-3(5(8)9)2-4(7)6(10)11/h3-4H,2,7H2,1H3,(H,8,9)(H,10,11)/t3?,4-/m0/s1
C6H11NO4161.1558151700
2015309

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C6H11NO4/c1-3(5(8)9)2-4(7)6(10)11/h3-4H,2,7H2,1H3,(H,8,9)(H,10,11)/t3-,4-/m1/s1
C6H11NO4161.15584121000
8187762

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C6H11NO4/c1-3(5(8)9)2-4(7)6(10)11/h3-4H,2,7H2,1H3,(H,8,9)(H,10,11)/t3-,4+/m0/s1
C6H11NO4161.15588700
18921100

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C6H11NO4/c1-3(5(8)9)2-4(7)6(10)11/h3-4H,2,7H2,1H3,(H,8,9)(H,10,11)/t3?,4-/m1/s1
C6H11NO4161.15585300
11200608

Charge

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C6H11NO4/c1-3(5(8)9)2-4(7)6(10)11/h3-4H,2,7H2,1H3,(H,8,9)(H,10,11)/p-1
C6H10NO4160.14843200
5341968

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C6H11NO4/c1-3(5(8)9)2-4(7)6(10)11/h3-4H,2,7H2,1H3,(H,8,9)(H,10,11)/p-1/t3-,4+/m1/s1
C6H10NO4160.148432000
5363229

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C6H11NO4/c1-3(5(8)9)2-4(7)6(10)11/h3-4H,2,7H2,1H3,(H,8,9)(H,10,11)/p-1/t3-,4-/m1/s1
C6H10NO4160.14842200
5341967

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C6H11NO4/c1-3(5(8)9)2-4(7)6(10)11/h3-4H,2,7H2,1H3,(H,8,9)(H,10,11)/p-1/t3-,4-/m0/s1
C6H10NO4160.14842200
19973926

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C6H11NO4/c1-3(5(8)9)2-4(7)6(10)11/h3-4H,2,7H2,1H3,(H,8,9)(H,10,11)/p-2/t3-,4+/m1/s1
C6H9NO4159.141123252
58172334

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C6H11NO4/c1-3(5(8)9)2-4(7)6(10)11/h3-4H,2,7H2,1H3,(H,8,9)(H,10,11)/t3-,4+/m1/s1/i1T,3T
C6H9T2NO4165.17211100
75150014

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C6H11NO4/c1-3(5(8)9)2-4(7)6(10)11/h3-4H,2,7H2,1H3,(H,8,9)(H,10,11)/t3-,4?/m0/s1
C6H11NO4161.15581100
75150021

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C6H11NO4/c1-3(5(8)9)2-4(7)6(10)11/h3-4H,2,7H2,1H3,(H,8,9)(H,10,11)/t3-,4?/m1/s1
C6H11NO4161.15581100
4451400

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C6H11NO4/c1-3(5(8)9)2-4(7)6(10)11/h3-4H,2,7H2,1H3,(H,8,9)(H,10,11)/p+1/t3-,4+/m1/s1
C6H12NO4162.163781100

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