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 10 results

Search term: ZWTGNSZOWCZDDE (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
81503

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h12,18-22,24,29H,7-11,13-17H2,1-6H3/t19-,20+,21-,22-,24+,27-,28+/m0/s1
C28H46O398.664281010
471416

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h12,18-22,24,29H,7-11,13-17H2,1-6H3
C28H46O398.664241700
4934069

2 of 7 defined stereocentres - 2/7 defined
InChI=1/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h12,18-22,24,29H,7-11,13-17H2,1-6H3/t19?,20?,21-,22-,24?,27?,28?/m0/s1
C28H46O398.66423300
8287021

4 of 7 defined stereocentres - 4/7 defined
InChI=1/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h12,18-22,24,29H,7-11,13-17H2,1-6H3/t19?,20-,21?,22+,24?,27+,28-/m1/s1
C28H46O398.66422100
8724306

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h12,18-22,24,29H,7-11,13-17H2,1-6H3/t19-,20-,21+,22+,24-,27+,28-/m1/s1
C28H46O398.66422100
9907086

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h12,18-22,24,29H,7-11,13-17H2,1-6H3/t19-,20-,21+,22+,24-,27+,28-/m1/s1/i9D2,10D2,11D2,12D,14D2,16D2,21D,24D
C28H33D13O411.74432200
20038284

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h12,18-22,24,29H,7-11,13-17H2,1-6H3/t19-,20+,21?,22?,24+,27-,28+/m0/s1
C28H46O398.66421203
29319413

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h12,18-22,24,29H,7-11,13-17H2,1-6H3/t19-,20-,21?,22+,24-,27+,28-/m1/s1
C28H46O398.66421100
67160735

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h12,18-22,24,29H,7-11,13-17H2,1-6H3/t19-,20+,21?,22-,24+,27-,28+/m0/s1
C28H46O398.66421100

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