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 8 results

Search term: KJTLQQUUPVSXIM (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
436

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C6H12O4/c1-6(10,2-3-7)4-5(8)9/h7,10H,2-4H2,1H3,(H,8,9)
C6H12O4148.15714858700
388367

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C6H12O4/c1-6(10,2-3-7)4-5(8)9/h7,10H,2-4H2,1H3,(H,8,9)/t6-/m1/s1
C6H12O4148.157135209888443
118932

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C6H12O4/c1-6(10,2-3-7)4-5(8)9/h7,10H,2-4H2,1H3,(H,8,9)/t6-/m0/s1
C6H12O4148.1571242500
4450890

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C6H12O4/c1-6(10,2-3-7)4-5(8)9/h7,10H,2-4H2,1H3,(H,8,9)/p-1/t6-/m1/s1
C6H11O4147.1491413253298512
3676240

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C6H12O4/c1-6(10,2-3-7)4-5(8)9/h7,10H,2-4H2,1H3,(H,8,9)/p-1
C6H11O4147.149145601
7827596

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C6H12O4/c1-6(10,2-3-7)4-5(8)9/h7,10H,2-4H2,1H3,(H,8,9)/p-1/t6-/m0/s1
C6H11O4147.14973300
62849458

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C6H12O4/c1-6(10,2-3-7)4-5(8)9/h7,10H,2-4H2,1H3,(H,8,9)/t6-/m0/s1/i2D/t2?,6-
C6H11DO4149.16323200
98644437

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C6H12O4/c1-6(10,2-3-7)4-5(8)9/h7,10H,2-4H2,1H3,(H,8,9)/i1D3
C6H9D3O4151.17563300

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