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 13 results

Search term: LBERVHLCXUMDOT (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
136680

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C29H46O3/c1-4-5-6-7-8-9-10-11-27(31)32-26-15-14-24-23-13-12-21-20-22(30)16-18-28(21,2)25(23)17-19-29(24,26)3/h20,23-26H,4-19H2,1-3H3/t23-,24-,25-,26-,28-,29-/m0/s1
C29H46O3442.6737719000
3600070

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C29H46O3/c1-4-5-6-7-8-9-10-11-27(31)32-26-15-14-24-23-13-12-21-20-22(30)16-18-28(21,2)25(23)17-19-29(24,26)3/h20,23-26H,4-19H2,1-3H3
C29H46O3442.6737400000019700
23089522

3 of 6 defined stereocentres - 3/6 defined
InChI=1/C29H46O3/c1-4-5-6-7-8-9-10-11-27(31)32-26-15-14-24-23-13-12-21-20-22(30)16-18-28(21,2)25(23)17-19-29(24,26)3/h20,23-26H,4-19H2,1-3H3/t23?,24?,25?,26-,28-,29-/m0/s1
C29H46O3442.6737613043
23089245

3 of 6 defined stereocentres - 3/6 defined
InChI=1/C29H46O3/c1-4-5-6-7-8-9-10-11-27(31)32-26-15-14-24-23-13-12-21-20-22(30)16-18-28(21,2)25(23)17-19-29(24,26)3/h20,23-26H,4-19H2,1-3H3/t23?,24-,25-,26-,28?,29?/m0/s1
C29H46O3442.673741263
52563810

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C29H46O3/c1-4-5-6-7-8-9-10-11-27(31)32-26-15-14-24-23-13-12-21-20-22(30)16-18-28(21,2)25(23)17-19-29(24,26)3/h20,23-26H,4-19H2,1-3H3/t23-,24-,25-,26-,28-,29-/m0/s1/i16D2,18D/t18?,23-,24-,25-,26-,28-,29-
C29H43D3O3445.69223500
1266899

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C29H46O3/c1-4-5-6-7-8-9-10-11-27(31)32-26-15-14-24-23-13-12-21-20-22(30)16-18-28(21,2)25(23)17-19-29(24,26)3/h20,23-26H,4-19H2,1-3H3/t23-,24-,25-,26+,28-,29-/m0/s1
C29H46O3442.67372200
64872686

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C29H46O3/c1-4-5-6-7-8-9-10-11-27(31)32-26-15-14-24-23-13-12-21-20-22(30)16-18-28(21,2)25(23)17-19-29(24,26)3/h20,23-26H,4-19H2,1-3H3/t23-,24-,25-,26-,28-,29-/m1/s1
C29H46O3442.67371100
110094546

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C29H46O3/c1-4-5-6-7-8-9-10-11-27(31)32-26-15-14-24-23-13-12-21-20-22(30)16-18-28(21,2)25(23)17-19-29(24,26)3/h20,23-26H,4-19H2,1-3H3/t23-,24+,25+,26+,28+,29+/m1/s1
C29H46O3442.67371100
114393832

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C29H46O3/c1-4-5-6-7-8-9-10-11-27(31)32-26-15-14-24-23-13-12-21-20-22(30)16-18-28(21,2)25(23)17-19-29(24,26)3/h20,23-26H,4-19H2,1-3H3/t23-,24-,25-,26-,28+,29-/m1/s1
C29H46O3442.67371100
114812550

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C29H46O3/c1-4-5-6-7-8-9-10-11-27(31)32-26-15-14-24-23-13-12-21-20-22(30)16-18-28(21,2)25(23)17-19-29(24,26)3/h20,23-26H,4-19H2,1-3H3/t23-,24-,25+,26-,28+,29-/m0/s1
C29H46O3442.67371100

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