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: XJOBGPHPZLLQKJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4484326

5 of 8 defined stereocentres - 5/8 defined
InChI=1/C22H40O11/c1-2-3-4-5-6-7-8-9-10-30-21-19(29)17(27)20(14(12-24)32-21)33-22-18(28)16(26)15(25)13(11-23)31-22/h13,15-19,21-29H,2-12H2,1H3/t13?,15-,16+,17+,18+,19-,21?,22?/m1/s1
C22H40O11480.54642300
61712585

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C22H40O11/c1-2-3-4-5-6-7-8-9-10-30-21-19(29)17(27)20(14(12-24)32-21)33-22-18(28)16(26)15(25)13(11-23)31-22/h13,15-19,21-29H,2-12H2,1H3/t13-,15+,16-,17-,18-,19+,21?,22+/m0/s1
C22H40O11480.54642300
61712675

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C22H40O11/c1-2-3-4-5-6-7-8-9-10-30-21-19(29)17(27)20(14(12-24)32-21)33-22-18(28)16(26)15(25)13(11-23)31-22/h13,15-19,21-29H,2-12H2,1H3/t13?,15-,16+,17?,18+,19-,21+,22-/m1/s1
C22H40O11480.54642200
61712903

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C22H40O11/c1-2-3-4-5-6-7-8-9-10-30-21-19(29)17(27)20(14(12-24)32-21)33-22-18(28)16(26)15(25)13(11-23)31-22/h13,15-19,21-29H,2-12H2,1H3/t13-,15+,16-,17?,18-,19+,21?,22+/m0/s1
C22H40O11480.54642200
61712905

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C22H40O11/c1-2-3-4-5-6-7-8-9-10-30-21-19(29)17(27)20(14(12-24)32-21)33-22-18(28)16(26)15(25)13(11-23)31-22/h13,15-19,21-29H,2-12H2,1H3/t13?,15-,16+,17+,18+,19-,21?,22-/m1/s1
C22H40O11480.54642300
61712906

5 of 8 defined stereocentres - 5/8 defined
InChI=1/C22H40O11/c1-2-3-4-5-6-7-8-9-10-30-21-19(29)17(27)20(14(12-24)32-21)33-22-18(28)16(26)15(25)13(11-23)31-22/h13,15-19,21-29H,2-12H2,1H3/t13?,15-,16+,17?,18+,19-,21?,22-/m1/s1
C22H40O11480.54642200
61713848

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C22H40O11/c1-2-3-4-5-6-7-8-9-10-30-21-19(29)17(27)20(14(12-24)32-21)33-22-18(28)16(26)15(25)13(11-23)31-22/h13,15-19,21-29H,2-12H2,1H3/t13-,15-,16+,17+,18+,19-,21-,22-/m1/s1
C22H40O11480.54642400
61714426

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C22H40O11/c1-2-3-4-5-6-7-8-9-10-30-21-19(29)17(27)20(14(12-24)32-21)33-22-18(28)16(26)15(25)13(11-23)31-22/h13,15-19,21-29H,2-12H2,1H3/t13?,15-,16+,17+,18+,19-,21+,22-/m1/s1
C22H40O11480.54642900

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