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 5 results

Search term: XFGRNAPKLGXDGF (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
130805

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C16H20O6/c1-2-11(6-5-9-14(17)18)10-22-16(21)13-8-4-3-7-12(13)15(19)20/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,17,18)(H,19,20)
C16H20O6308.3264345800
48062782

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C16H20O6/c1-2-11(6-5-9-14(17)18)10-22-16(21)13-8-4-3-7-12(13)15(19)20/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,17,18)(H,19,20)/i3D,4D,7D,8D
C16H16D4O6312.3517900
58785620

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C16H20O6/c1-2-11(6-5-9-14(17)18)10-22-16(21)13-8-4-3-7-12(13)15(19)20/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,17,18)(H,19,20)/i1D3,2D2,3D,4D,7D,8D
C16H11D9O6317.38192400
107434466

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C16H20O6/c1-2-11(6-5-9-14(17)18)10-22-16(21)13-8-4-3-7-12(13)15(19)20/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,17,18)(H,19,20)/i3+1,4+1,7+1,8+1,12+1,13+1
C1013C6H20O6314.28232200
57643541

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C16H20O6/c1-2-11(6-5-9-14(17)18)10-22-16(21)13-8-4-3-7-12(13)15(19)20/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,17,18)(H,19,20)/t11-/m1/s1
C16H20O6308.32641100

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