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 20 results

Search term: HEBKCHPVOIAQTA (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
84971


2 of 2 defined stereocentres - 2/2 defined
InChI=1/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4-/m1/s1
C5H12O5152.145899320414129
388391


2 of 2 defined stereocentres - 2/2 defined
InChI=1/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4-/m0/s1
C5H12O5152.14589017268129
6646


3 of 3 defined stereocentres - 3/3 defined
InChI=1/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5+
C5H12O5152.14588928292126175
10254628


3 of 3 defined stereocentres - 3/3 defined
InChI=1/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5-
C5H12O5152.14588815216978
804

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2
C5H12O5152.14586518399870
21391692

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5?
C5H12O5152.1458223300
58780753

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4-/m1/s1/i1+1,3+1/t3-,4-,5+
C313C2H12O5154.13113300
58780550

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4-/m1/s1/i1+1,2+1,3+1,4+1,5+1
13C5H12O5157.10913300
77498848

2 of 3 defined stereocentres - 2/3 defined

Non-standard isotope
InChI=1/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5?/i1+1,2+1,3+1,4+1,5+1
13C5H12O5157.10912200
395782

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4?,5+/m1/s1
C5H12O5152.14582400
49072491

0 of 3 defined stereocentres - 0/3 defined

Non-standard isotope
InChI=1/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/i1+1,2+1,3+1,4+1,5+1
13C5H12O5157.10911100
57267621

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4-/m1/s1/i1T/t1?,3-,4-,5-
C5H11TO5154.15391100
58781438

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4-/m1/s1/i1+1/t3-,4-,5-
C413CH12O5153.13841100
58784907

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5-/i3+1/m0/s1
C413CH12O5153.13841100
58784916

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5-/i1+1/m1/s1
C413CH12O5153.13841100
58785292

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5-/i1+1/m0/s1
C413CH12O5153.13841100
58785293

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5-/i5+1
C413CH12O5153.13841100
58785322

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5-/i1+1,2+1,3+1,4+1,5+1
13C5H12O5157.10911100
75146047

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4?,5?/m0/s1
C5H12O5152.14581100
58780752

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4-/m1/s1/i1+1/t3-,4-,5+
C413CH12O5153.13841100

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