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 6 results

Search term: XJKJWTWGDGIQRH (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
21111824

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C14H22O12/c1-3-4(15)5(16)9(11(24-3)13(21)22)25-14-7(18)6(17)8(23-2)10(26-14)12(19)20/h3-11,14-18H,1-2H3,(H,19,20)(H,21,22)/t3-,4+,5+,6+,7-,8-,9?,10-,11+,14+/m0/s1
C14H22O12382.31731715355168
57487438

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C14H22O12/c1-3-4(15)5(16)9(11(24-3)13(21)22)25-14-7(18)6(17)8(23-2)10(26-14)12(19)20/h3-11,14-18H,1-2H3,(H,19,20)(H,21,22)/t3-,4+,5+,6+,7-,8-,9-,10+,11-,14+/m0/s1
C14H22O12382.31734300
78272969

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C14H22O12/c1-3-4(15)5(16)9(11(24-3)13(21)22)25-14-7(18)6(17)8(23-2)10(26-14)12(19)20/h3-11,14-18H,1-2H3,(H,19,20)(H,21,22)/t3-,4+,5+,6+,7-,8-,9-,10-,11+,14+/m0/s1
C14H22O12382.31733300
2614728

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C14H22O12/c1-3-4(15)5(16)9(11(24-3)13(21)22)25-14-7(18)6(17)8(23-2)10(26-14)12(19)20/h3-11,14-18H,1-2H3,(H,19,20)(H,21,22)
C14H22O12382.31733100
117035384

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C14H22O12/c1-3-4(15)5(16)9(11(24-3)13(21)22)25-14-7(18)6(17)8(23-2)10(26-14)12(19)20/h3-11,14-18H,1-2H3,(H,19,20)(H,21,22)/t3-,4+,5+,6+,7-,8-,9?,10-,11+,14+/m1/s1
C14H22O12382.31731100

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