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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 21 results

Search term: QFVOYBUQQBFCRH (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
398979

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H30O3/c1-13-11-19-9-5-14-17(2,7-4-8-18(14,3)16(21)22)15(19)6-10-20(13,23)12-19/h14-15,23H,1,4-12H2,2-3H3,(H,21,22)/t14-,15-,17+,18+,19+,20-/m0/s1
C20H30O3318.450454112067
28536991

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H30O3/c1-13-11-19-9-5-14-17(2,7-4-8-18(14,3)16(21)22)15(19)6-10-20(13,23)12-19/h14-15,23H,1,4-12H2,2-3H3,(H,21,22)/t14-,15-,17+,18-,19+,20+/m1/s1
C20H30O3318.4504201100
277096

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C20H30O3/c1-13-11-19-9-5-14-17(2,7-4-8-18(14,3)16(21)22)15(19)6-10-20(13,23)12-19/h14-15,23H,1,4-12H2,2-3H3,(H,21,22)
C20H30O3318.4504136300
8080741

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C20H30O3/c1-13-11-19-9-5-14-17(2,7-4-8-18(14,3)16(21)22)15(19)6-10-20(13,23)12-19/h14-15,23H,1,4-12H2,2-3H3,(H,21,22)/t14?,15?,17-,18-,19-,20+/m1/s1
C20H30O3318.450412620554
107443443

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H30O3/c1-13-11-19-9-5-14-17(2,7-4-8-18(14,3)16(21)22)15(19)6-10-20(13,23)12-19/h14-15,23H,1,4-12H2,2-3H3,(H,21,22)/t14-,15-,17+,18+,19-,20-/m0/s1
C20H30O3318.45044600
128919968

Charge

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H30O3/c1-13-11-19-9-5-14-17(2,7-4-8-18(14,3)16(21)22)15(19)6-10-20(13,23)12-19/h14-15,23H,1,4-12H2,2-3H3,(H,21,22)/p-1/t14-,15-,17+,18+,19+,20-/m0/s1
C20H29O3317.4433300
9714

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C20H30O3/c1-13-11-19-9-5-14-17(2,7-4-8-18(14,3)16(21)22)15(19)6-10-20(13,23)12-19/h14-15,23H,1,4-12H2,2-3H3,(H,21,22)/t14?,15?,17-,18+,19-,20+/m0/s1
C20H30O3318.45043300
29361405

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H30O3/c1-13-11-19-9-5-14-17(2,7-4-8-18(14,3)16(21)22)15(19)6-10-20(13,23)12-19/h14-15,23H,1,4-12H2,2-3H3,(H,21,22)/t14-,15-,17+,18+,19+,20-/m1/s1
C20H30O3318.45043100
58784391

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C20H30O3/c1-13-11-19-9-5-14-17(2,7-4-8-18(14,3)16(21)22)15(19)6-10-20(13,23)12-19/h14-15,23H,1,4-12H2,2-3H3,(H,21,22)/t14-,15-,17+,18+,19+,20-/m0/s1/i1+1D2
C1913CH28D2O3321.45542400
16739591

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H30O3/c1-13-11-19-9-5-14-17(2,7-4-8-18(14,3)16(21)22)15(19)6-10-20(13,23)12-19/h14-15,23H,1,4-12H2,2-3H3,(H,21,22)/t14-,15-,17+,18-,19+,20-/m1/s1
C20H30O3318.4504211129
77480497

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H30O3/c1-13-11-19-9-5-14-17(2,7-4-8-18(14,3)16(21)22)15(19)6-10-20(13,23)12-19/h14-15,23H,1,4-12H2,2-3H3,(H,21,22)/t14-,15-,17-,18+,19+,20-/m0/s1
C20H30O3318.45042100
107451215

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C20H30O3/c1-13-11-19-9-5-14-17(2,7-4-8-18(14,3)16(21)22)15(19)6-10-20(13,23)12-19/h14-15,23H,1,4-12H2,2-3H3,(H,21,22)/t14-,15-,17+,18+,19+,20-/m0/s1/i1+1,11D2
C1913CH28D2O3321.45541100
113589372

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H30O3/c1-13-11-19-9-5-14-17(2,7-4-8-18(14,3)16(21)22)15(19)6-10-20(13,23)12-19/h14-15,23H,1,4-12H2,2-3H3,(H,21,22)/t14-,15-,17-,18+,19+,20-/m1/s1
C20H30O3318.45041100
113612358

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C20H30O3/c1-13-11-19-9-5-14-17(2,7-4-8-18(14,3)16(21)22)15(19)6-10-20(13,23)12-19/h14-15,23H,1,4-12H2,2-3H3,(H,21,22)/t14?,15?,17-,18+,19-,20-/m0/s1
C20H30O3318.45041100
114392166

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C20H30O3/c1-13-11-19-9-5-14-17(2,7-4-8-18(14,3)16(21)22)15(19)6-10-20(13,23)12-19/h14-15,23H,1,4-12H2,2-3H3,(H,21,22)/t14?,15?,17-,18-,19-,20+/m0/s1
C20H30O3318.45041100
114989950

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C20H30O3/c1-13-11-19-9-5-14-17(2,7-4-8-18(14,3)16(21)22)15(19)6-10-20(13,23)12-19/h14-15,23H,1,4-12H2,2-3H3,(H,21,22)/t14-,15-,17+,18+,19-,20?/m0/s1
C20H30O3318.45041100
65328902

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C20H30O3/c1-13-11-19-9-5-14-17(2,7-4-8-18(14,3)16(21)22)15(19)6-10-20(13,23)12-19/h14-15,23H,1,4-12H2,2-3H3,(H,21,22)/t14-,15-,17+,18+,19+,20?/m0/s1
C20H30O3318.450417800
74174570

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C20H30O3/c1-13-11-19-9-5-14-17(2,7-4-8-18(14,3)16(21)22)15(19)6-10-20(13,23)12-19/h14-15,23H,1,4-12H2,2-3H3,(H,21,22)/t14-,15-,17?,18?,19+,20-/m0/s1
C20H30O3318.45041100
12

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