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: DUSHUSLJJMDGTE (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4447594


8 of 8 defined stereocentres - 8/8 defined
InChI=1/C22H27ClO3/c1-11(24)22(26)7-5-14-12-9-18(23)17-10-19(25)13-8-16(13)21(17,3)15(12)4-6-20(14,22)2/h9-10,12-16,26H,4-8H2,1-3H3/t12-,13+,14-,15-,16-,20-,21-,22-/m0/s1
C22H27ClO3374.901485123986
4642628

4 of 8 defined stereocentres - 4/8 defined
InChI=1/C22H27ClO3/c1-11(24)22(26)7-5-14-12-9-18(23)17-10-19(25)13-8-16(13)21(17,3)15(12)4-6-20(14,22)2/h9-10,12-16,26H,4-8H2,1-3H3/t12?,13-,14?,15?,16?,20+,21+,22+/m1/s1
C22H27ClO3374.9017500
58782308

8 of 8 defined stereocentres - 8/8 defined

Non-standard isotope
InChI=1/C22H27ClO3/c1-11(24)22(26)7-5-14-12-9-18(23)17-10-19(25)13-8-16(13)21(17,3)15(12)4-6-20(14,22)2/h9-10,12-16,26H,4-8H2,1-3H3/t12-,13+,14-,15-,16-,20-,21-,22-/m0/s1/i1D3,10D
C22H23D4ClO3378.92566700
2907

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C22H27ClO3/c1-11(24)22(26)7-5-14-12-9-18(23)17-10-19(25)13-8-16(13)21(17,3)15(12)4-6-20(14,22)2/h9-10,12-16,26H,4-8H2,1-3H3
C22H27ClO3374.901520600
58781962

8 of 8 defined stereocentres - 8/8 defined

Non-standard isotope
InChI=1/C22H27ClO3/c1-11(24)22(26)7-5-14-12-9-18(23)17-10-19(25)13-8-16(13)21(17,3)15(12)4-6-20(14,22)2/h9-10,12-16,26H,4-8H2,1-3H3/t12-,13+,14-,15-,16-,20-,21-,22-/m0/s1/i1+1D3,3D3,10D,11+1,13D
C2013C2H19D8ClO3384.93562200
8220540

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C22H27ClO3/c1-11(24)22(26)7-5-14-12-9-18(23)17-10-19(25)13-8-16(13)21(17,3)15(12)4-6-20(14,22)2/h9-10,12-16,26H,4-8H2,1-3H3/t12-,13+,14-,15-,16?,20-,21-,22-/m0/s1
C22H27ClO3374.9012100
103836107

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C22H27ClO3/c1-11(24)22(26)7-5-14-12-9-18(23)17-10-19(25)13-8-16(13)21(17,3)15(12)4-6-20(14,22)2/h9-10,12-16,26H,4-8H2,1-3H3/t12-,13+,14-,15+,16+,20-,21-,22+/m1/s1
C22H27ClO3374.9012200
114814889

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C22H27ClO3/c1-11(24)22(26)7-5-14-12-9-18(23)17-10-19(25)13-8-16(13)21(17,3)15(12)4-6-20(14,22)2/h9-10,12-16,26H,4-8H2,1-3H3/t12-,13-,14+,15+,16-,20-,21+,22+/m1/s1
C22H27ClO3374.9011100
129310780

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C22H27ClO3/c1-11(24)22(26)7-5-14-12-9-18(23)17-10-19(25)13-8-16(13)21(17,3)15(12)4-6-20(14,22)2/h9-10,12-16,26H,4-8H2,1-3H3/t12-,13-,14+,15+,16+,20+,21+,22+/m1/s1
C22H27ClO3374.9011100
21781925

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C22H27ClO3/c1-11(24)22(26)7-5-14-12-9-18(23)17-10-19(25)13-8-16(13)21(17,3)15(12)4-6-20(14,22)2/h9-10,12-16,26H,4-8H2,1-3H3/t12-,13+,14-,15?,16-,20-,21-,22-/m0/s1
C22H27ClO3374.9011100
26360972

3 of 8 defined stereocentres - 3/8 defined
InChI=1/C22H27ClO3/c1-11(24)22(26)7-5-14-12-9-18(23)17-10-19(25)13-8-16(13)21(17,3)15(12)4-6-20(14,22)2/h9-10,12-16,26H,4-8H2,1-3H3/t12?,13?,14?,15?,16?,20-,21-,22-/m1/s1
C22H27ClO3374.9011100
30650448

3 of 8 defined stereocentres - 3/8 defined
InChI=1/C22H27ClO3/c1-11(24)22(26)7-5-14-12-9-18(23)17-10-19(25)13-8-16(13)21(17,3)15(12)4-6-20(14,22)2/h9-10,12-16,26H,4-8H2,1-3H3/t12?,13?,14?,15?,16?,20-,21-,22-/m0/s1
C22H27ClO3374.9011100
95600813

8 of 8 defined stereocentres - 8/8 defined

Non-standard isotope
InChI=1/C22H27ClO3/c1-11(24)22(26)7-5-14-12-9-18(23)17-10-19(25)13-8-16(13)21(17,3)15(12)4-6-20(14,22)2/h9-10,12-16,26H,4-8H2,1-3H3/t12-,13+,14-,15-,16-,20-,21-,22-/m0/s1/i26D
C22H26DClO3375.90711100

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