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 27 results

Search term: KFVUFODCZDRVSS (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
89905

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H30O3/c1-17-9-5-14-18(2)7-4-8-19(3,16(22)23)13(18)6-10-20(14,12-17)11-15(17)21/h13-14H,4-12H2,1-3H3,(H,22,23)/t13-,14-,17-,18+,19+,20-/m0/s1
C20H30O3318.4504484511
20473401

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C20H30O3/c1-17-9-5-14-18(2)7-4-8-19(3,16(22)23)13(18)6-10-20(14,12-17)11-15(17)21/h13-14H,4-12H2,1-3H3,(H,22,23)/t13-,14?,17-,18+,19+,20-/m0/s1
C20H30O3318.4504181500
278167

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C20H30O3/c1-17-9-5-14-18(2)7-4-8-19(3,16(22)23)13(18)6-10-20(14,12-17)11-15(17)21/h13-14H,4-12H2,1-3H3,(H,22,23)
C20H30O3318.4504132400
35303405

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H30O3/c1-17-9-5-14-18(2)7-4-8-19(3,16(22)23)13(18)6-10-20(14,12-17)11-15(17)21/h13-14H,4-12H2,1-3H3,(H,22,23)/t13-,14-,17+,18+,19+,20+/m1/s1
C20H30O3318.450410700
26403468

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C20H30O3/c1-17-9-5-14-18(2)7-4-8-19(3,16(22)23)13(18)6-10-20(14,12-17)11-15(17)21/h13-14H,4-12H2,1-3H3,(H,22,23)/t13?,14?,17-,18+,19+,20-/m0/s1
C20H30O3318.45047400
5434038

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H30O3/c1-17-9-5-14-18(2)7-4-8-19(3,16(22)23)13(18)6-10-20(14,12-17)11-15(17)21/h13-14H,4-12H2,1-3H3,(H,22,23)/t13-,14+,17+,18-,19-,20+/m1/s1
C20H30O3318.45043100
10077060

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H30O3/c1-17-9-5-14-18(2)7-4-8-19(3,16(22)23)13(18)6-10-20(14,12-17)11-15(17)21/h13-14H,4-12H2,1-3H3,(H,22,23)/t13-,14-,17+,18-,19-,20+/m1/s1
C20H30O3318.45042100
27473782

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H30O3/c1-17-9-5-14-18(2)7-4-8-19(3,16(22)23)13(18)6-10-20(14,12-17)11-15(17)21/h13-14H,4-12H2,1-3H3,(H,22,23)/t13-,14-,17+,18+,19+,20+/m0/s1
C20H30O3318.45042200
65999575

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C20H30O3/c1-17-9-5-14-18(2)7-4-8-19(3,16(22)23)13(18)6-10-20(14,12-17)11-15(17)21/h13-14H,4-12H2,1-3H3,(H,22,23)/t13-,14-,17?,18+,19+,20-/m0/s1
C20H30O3318.45042500
68894551

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H30O3/c1-17-9-5-14-18(2)7-4-8-19(3,16(22)23)13(18)6-10-20(14,12-17)11-15(17)21/h13-14H,4-12H2,1-3H3,(H,22,23)/t13-,14-,17-,18+,19+,20-/m1/s1
C20H30O3318.45042100
76784808

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H30O3/c1-17-9-5-14-18(2)7-4-8-19(3,16(22)23)13(18)6-10-20(14,12-17)11-15(17)21/h13-14H,4-12H2,1-3H3,(H,22,23)/t13-,14-,17-,18+,19-,20+/m1/s1
C20H30O3318.45042200
82966059

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C20H30O3/c1-17-9-5-14-18(2)7-4-8-19(3,16(22)23)13(18)6-10-20(14,12-17)11-15(17)21/h13-14H,4-12H2,1-3H3,(H,22,23)/t13-,14?,17-,18+,19+,20-/m1/s1
C20H30O3318.45042100
88297830

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H30O3/c1-17-9-5-14-18(2)7-4-8-19(3,16(22)23)13(18)6-10-20(14,12-17)11-15(17)21/h13-14H,4-12H2,1-3H3,(H,22,23)/t13-,14-,17-,18-,19+,20+/m0/s1
C20H30O3318.45042100
107441911

5 of 6 defined stereocentres - 5/6 defined

Non-standard isotope
InChI=1/C20H30O3/c1-17-9-5-14-18(2)7-4-8-19(3,16(22)23)13(18)6-10-20(14,12-17)11-15(17)21/h13-14H,4-12H2,1-3H3,(H,22,23)/t13-,14-,17?,18+,19+,20-/m0/s1/i3D3
C20H27D3O3321.46891100
113607041

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H30O3/c1-17-9-5-14-18(2)7-4-8-19(3,16(22)23)13(18)6-10-20(14,12-17)11-15(17)21/h13-14H,4-12H2,1-3H3,(H,22,23)/t13-,14-,17-,18+,19-,20+/m0/s1
C20H30O3318.45041100
113609086

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H30O3/c1-17-9-5-14-18(2)7-4-8-19(3,16(22)23)13(18)6-10-20(14,12-17)11-15(17)21/h13-14H,4-12H2,1-3H3,(H,22,23)/t13-,14-,17-,18+,19+,20+/m0/s1
C20H30O3318.45041100
114391555

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C20H30O3/c1-17-9-5-14-18(2)7-4-8-19(3,16(22)23)13(18)6-10-20(14,12-17)11-15(17)21/h13-14H,4-12H2,1-3H3,(H,22,23)/t13-,14?,17-,18-,19-,20+/m1/s1
C20H30O3318.45041100
114816134

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C20H30O3/c1-17-9-5-14-18(2)7-4-8-19(3,16(22)23)13(18)6-10-20(14,12-17)11-15(17)21/h13-14H,4-12H2,1-3H3,(H,22,23)/t13-,14?,17+,18-,19-,20-/m1/s1
C20H30O3318.45041100
78076045

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C20H30O3/c1-17-9-5-14-18(2)7-4-8-19(3,16(22)23)13(18)6-10-20(14,12-17)11-15(17)21/h13-14H,4-12H2,1-3H3,(H,22,23)/t13-,14-,17-,18+,19+,20-/m1/s1/i3D3
C20H27D3O3321.46891100
58784337

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C20H30O3/c1-17-9-5-14-18(2)7-4-8-19(3,16(22)23)13(18)6-10-20(14,12-17)11-15(17)21/h13-14H,4-12H2,1-3H3,(H,22,23)/t13-,14-,17-,18+,19+,20-/m0/s1/i3D3
C20H27D3O3321.46891100
12

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