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 15 results

Search term: BTTWKVFKBPAFDK (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
120071

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,13-17,20-21H,3-10H2,1-2H3/t13-,14-,15-,16-,17-,18-,19-/m0/s1
C19H30O2290.4403515300
144558

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,13-17,20-21H,3-10H2,1-2H3/t13-,14+,15+,16+,17+,18+,19+/m1/s1
C19H30O2290.4403161330
453216

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,13-17,20-21H,3-10H2,1-2H3
C19H30O2290.4403162100
8141403

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,13-17,20-21H,3-10H2,1-2H3/t13-,14+,15+,16+,17-,18+,19+/m1/s1
C19H30O2290.4403101400
8141404

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,13-17,20-21H,3-10H2,1-2H3/t13-,14-,15-,16-,17+,18-,19-/m0/s1
C19H30O2290.44039800
19989901

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,13-17,20-21H,3-10H2,1-2H3/t13?,14-,15-,16-,17?,18-,19-/m0/s1
C19H30O2290.440386014
393612

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,13-17,20-21H,3-10H2,1-2H3/t13?,14-,15-,16-,17-,18-,19-/m0/s1
C19H30O2290.44034400
23214154

2 of 7 defined stereocentres - 2/7 defined
InChI=1/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,13-17,20-21H,3-10H2,1-2H3/t13?,14?,15?,16?,17?,18-,19-/m0/s1
C19H30O2290.44032200
58780540

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,13-17,20-21H,3-10H2,1-2H3/t13-,14-,15-,16-,17+,18-,19-/m0/s1/i6D2,17D
C19H27D3O2293.45882200
62536591

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,13-17,20-21H,3-10H2,1-2H3/t13-,14-,15+,16+,17-,18+,19+/m1/s1
C19H30O2290.44032200
65791728

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,13-17,20-21H,3-10H2,1-2H3/t13-,14-,15-,16-,17-,18-,19-/m0/s1/i2D3,6D,17D/t6?,13-,14-,15-,16-,17-,18-,19-
C19H25D5O2295.47111100
114553549

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,13-17,20-21H,3-10H2,1-2H3/t13-,14-,15-,16-,17-,18-,19-/m1/s1
C19H30O2290.44031100
23186617

3 of 7 defined stereocentres - 3/7 defined
InChI=1/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,13-17,20-21H,3-10H2,1-2H3/t13?,14?,15?,16?,17-,18-,19-/m0/s1
C19H30O2290.44031100

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