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 7 results

Search term: JUQLUIFNNFIIKC (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
91360

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C7H13NO4/c8-5(7(11)12)3-1-2-4-6(9)10/h5H,1-4,8H2,(H,9,10)(H,11,12)
C7H13NO4175.18249710875
394004

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C7H13NO4/c8-5(7(11)12)3-1-2-4-6(9)10/h5H,1-4,8H2,(H,9,10)(H,11,12)/t5-/m0/s1
C7H13NO4175.1824444100
5369610

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C7H13NO4/c8-5(7(11)12)3-1-2-4-6(9)10/h5H,1-4,8H2,(H,9,10)(H,11,12)/t5-/m1/s1
C7H13NO4175.1824402700
13928693

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C7H13NO4/c8-5(7(11)12)3-1-2-4-6(9)10/h5H,1-4,8H2,(H,9,10)(H,11,12)/p-2
C7H11NO4173.16762520
128918239

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C7H13NO4/c8-5(7(11)12)3-1-2-4-6(9)10/h5H,1-4,8H2,(H,9,10)(H,11,12)/i1D2,2D2,3D2
C7H7D6NO4181.21941100
5361071

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C7H13NO4/c8-5(7(11)12)3-1-2-4-6(9)10/h5H,1-4,8H2,(H,9,10)(H,11,12)/p-1/t5-/m0/s1
C7H12NO4174.1751100
5369609

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C7H13NO4/c8-5(7(11)12)3-1-2-4-6(9)10/h5H,1-4,8H2,(H,9,10)(H,11,12)/p-1/t5-/m1/s1
C7H12NO4174.1751100

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