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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 32 results

Search term: QMBJSIBWORFWQT (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8963

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C23H29ClO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h11-12,16-18H,5-10H2,1-4H3/t16-,17+,18+,21-,22+,23+/m1/s1
C23H29ClO4404.9279811431
2613

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C23H29ClO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h11-12,16-18H,5-10H2,1-4H3
C23H29ClO4404.9271461800
58779848

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C23H29ClO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h11-12,16-18H,5-10H2,1-4H3/t16-,17+,18+,21-,22+,23+/m1/s1/i1D3,5D2,11D
C23H23D6ClO4410.96396700
5142929

3 of 6 defined stereocentres - 3/6 defined
InChI=1/C23H29ClO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h11-12,16-18H,5-10H2,1-4H3/t16?,17?,18?,21-,22+,23+/m1/s1
C23H29ClO4404.9276400
839562

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C23H29ClO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h11-12,16-18H,5-10H2,1-4H3/t16-,17+,18+,21-,22+,23-/m1/s1
C23H29ClO4404.9274300
102969

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C23H29ClO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h11-12,16-18H,5-10H2,1-4H3/t16-,17+,18+,21-,22+,23?/m1/s1
C23H29ClO4404.9273100
24541059

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C23H29ClO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h11-12,16-18H,5-10H2,1-4H3/t16-,17-,18-,21-,22+,23-/m1/s1
C23H29ClO4404.9273100
8176887

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C23H29ClO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h11-12,16-18H,5-10H2,1-4H3/t16-,17+,18?,21-,22+,23+/m1/s1
C23H29ClO4404.9272100
107450076

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C23H29ClO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h11-12,16-18H,5-10H2,1-4H3/t16-,17+,18+,21-,22+,23+/m1/s1/i2D3
C23H26D3ClO4407.94542400
62634603

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C23H29ClO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h11-12,16-18H,5-10H2,1-4H3/t16-,17+,18-,21-,22+,23-/m0/s1
C23H29ClO4404.9272200
62634615

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C23H29ClO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h11-12,16-18H,5-10H2,1-4H3/t16-,17-,18-,21-,22+,23-/m0/s1
C23H29ClO4404.9272200
107441693

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C23H29ClO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h11-12,16-18H,5-10H2,1-4H3/t16-,17-,18+,21-,22+,23?/m1/s1
C23H29ClO4404.9271400
107450074

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C23H29ClO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h11-12,16-18H,5-10H2,1-4H3/t16-,17+,18+,21-,22+,23+/m1/s1/i2+1D3,14+1
C2113C2H26D3ClO4409.93081200
114392866

5 of 6 defined stereocentres - 5/6 defined

Non-standard isotope
InChI=1/C23H29ClO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h11-12,16-18H,5-10H2,1-4H3/t16-,17?,18+,21-,22+,23+/m1/s1/i1D3,5D2,11D,12D
C23H22D7ClO4411.97011100
114392867

5 of 6 defined stereocentres - 5/6 defined

Non-standard isotope
InChI=1/C23H29ClO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h11-12,16-18H,5-10H2,1-4H3/t16-,17?,18+,21-,22+,23+/m1/s1/i2D3
C23H26D3ClO4407.94541100
114392868

5 of 6 defined stereocentres - 5/6 defined

Non-standard isotope
InChI=1/C23H29ClO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h11-12,16-18H,5-10H2,1-4H3/t16-,17?,18+,21-,22+,23+/m1/s1/i2+1D3,14+1
C2113C2H26D3ClO4409.93081100
114547252

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C23H29ClO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h11-12,16-18H,5-10H2,1-4H3/t16-,17-,18+,21-,22+,23+/m1/s1
C23H29ClO4404.9271100
114815277

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C23H29ClO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h11-12,16-18H,5-10H2,1-4H3/t16-,17-,18-,21+,22+,23-/m0/s1
C23H29ClO4404.9271200
115011006

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C23H29ClO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h11-12,16-18H,5-10H2,1-4H3/t16-,17+,18+,21-,22+,23+/m1/s1/i2D3,5D2,11D
C23H23D6ClO4410.96391100
12

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