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 11 results

Search term: PBTXSZZKPHBHMA (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
116053

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C22H22O9/c1-11(13-8-5-9-14(10-13)15(23)12-6-3-2-4-7-12)21(29)31-22-18(26)16(24)17(25)19(30-22)20(27)28/h2-11,16-19,22,24-26H,1H3,(H,27,28)/t11?,16-,17-,18+,19-,22-/m0/s1
C22H22O9430.4047354200
57530386

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H22O9/c1-11(13-8-5-9-14(10-13)15(23)12-6-3-2-4-7-12)21(29)31-22-18(26)16(24)17(25)19(30-22)20(27)28/h2-11,16-19,22,24-26H,1H3,(H,27,28)/t11-,16-,17-,18+,19-,22-/m0/s1
C22H22O9430.4047101000
62881385

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H22O9/c1-11(13-8-5-9-14(10-13)15(23)12-6-3-2-4-7-12)21(29)31-22-18(26)16(24)17(25)19(30-22)20(27)28/h2-11,16-19,22,24-26H,1H3,(H,27,28)/t11-,16+,17+,18-,19+,22+/m1/s1
C22H22O9430.404710900
13584084

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C22H22O9/c1-11(13-8-5-9-14(10-13)15(23)12-6-3-2-4-7-12)21(29)31-22-18(26)16(24)17(25)19(30-22)20(27)28/h2-11,16-19,22,24-26H,1H3,(H,27,28)
C22H22O9430.40474700
8845677

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C22H22O9/c1-11(13-8-5-9-14(10-13)15(23)12-6-3-2-4-7-12)21(29)31-22-18(26)16(24)17(25)19(30-22)20(27)28/h2-11,16-19,22,24-26H,1H3,(H,27,28)/t11-,16+,17+,18-,19+,22+/m1/s1/i21+1
C2113CH22O9431.39732200
8940442

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C22H22O9/c1-11(13-8-5-9-14(10-13)15(23)12-6-3-2-4-7-12)21(29)31-22-18(26)16(24)17(25)19(30-22)20(27)28/h2-11,16-19,22,24-26H,1H3,(H,27,28)/t11-,16-,17-,18+,19-,22-/m0/s1/i21+1
C2113CH22O9431.39732200
111308931

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C22H22O9/c1-11(13-8-5-9-14(10-13)15(23)12-6-3-2-4-7-12)21(29)31-22-18(26)16(24)17(25)19(30-22)20(27)28/h2-11,16-19,22,24-26H,1H3,(H,27,28)/t11-,16+,17-,18?,19?,22-/m0/s1
C22H22O9430.40471100
114392619

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C22H22O9/c1-11(13-8-5-9-14(10-13)15(23)12-6-3-2-4-7-12)21(29)31-22-18(26)16(24)17(25)19(30-22)20(27)28/h2-11,16-19,22,24-26H,1H3,(H,27,28)/t11?,16-,17-,18+,19-,22?/m0/s1
C22H22O9430.40471100
114810798

5 of 6 defined stereocentres - 5/6 defined

Non-standard isotope
InChI=1/C22H22O9/c1-11(13-8-5-9-14(10-13)15(23)12-6-3-2-4-7-12)21(29)31-22-18(26)16(24)17(25)19(30-22)20(27)28/h2-11,16-19,22,24-26H,1H3,(H,27,28)/t11?,16-,17-,18+,19-,22-/m0/s1/i1+1D3
C2113CH19D3O9434.41581300

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