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
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Found 39 results

Search term: AUODDLQVRAJAJM (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10482112

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C18H33ClN2O5S.ClH/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4;/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25);1H/t9-,10+,11-,12+,13-,14+,15+,16+,18+;/m0./s1
C18H34Cl2N2O5S461.4447999761
389986

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C18H33ClN2O5S.ClH/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4;/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25);1H/t9?,10-,11+,12?,13+,14-,15-,16-,18-;/m1./s1
C18H34Cl2N2O5S461.44396211500
4925498

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C18H33ClN2O5S.ClH/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4;/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25);1H/t9-,10+,11-,12+,13-,14+,15+,16?,18+;/m0./s1
C18H34Cl2N2O5S461.444121000
75655

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C18H33ClN2O5S.ClH/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4;/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25);1H/t9-,10-,11+,12-,13+,14-,15-,16-,18-;/m1./s1
C18H34Cl2N2O5S461.44396101000
10617571

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C18H33ClN2O5S.ClH/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4;/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25);1H
C18H34Cl2N2O5S461.444105700
21373355

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C18H33ClN2O5S.ClH/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4;/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25);1H/t9?,10-,11+,12?,13+,14-,15-,16-,18-;/m0./s1
C18H34Cl2N2O5S461.4448700
24589367

4 of 9 defined stereocentres - 4/9 defined
InChI=1/C18H33ClN2O5S.ClH/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4;/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25);1H/t9?,10-,11+,12?,13+,14-,15?,16?,18?;/m1./s1
C18H34Cl2N2O5S461.4448300
17346477

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C18H33ClN2O5S.ClH/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4;/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25);1H/t9-,10+,11?,12+,13-,14+,15+,16?,18+;/m0./s1
C18H34Cl2N2O5S461.4446400
25027423

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C18H33ClN2O5S.ClH/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4;/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25);1H/t9?,10-,11+,12-,13+,14-,15-,16-,18-;/m1./s1
C18H34Cl2N2O5S461.4445200
26943871

6 of 9 defined stereocentres - 6/9 defined
InChI=1/C18H33ClN2O5S.ClH/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4;/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25);1H/t9-,10+,11?,12+,13+,14+,15?,16?,18+;/m0./s1
C18H34Cl2N2O5S461.4445200
115005670

9 of 9 defined stereocentres - 9/9 defined

Non-standard isotope
InChI=1/C18H33ClN2O5S.ClH/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4;/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25);1H/t9-,10+,11-,12+,13-,14+,15+,16+,18+;/m0./s1/i3D3;
C18H31D3Cl2N2O5S464.46245500
24605561

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C18H33ClN2O5S.ClH/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4;/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25);1H/t9?,10-,11+,12+,13+,14-,15-,16?,18-;/m1./s1
C18H34Cl2N2O5S461.4444500
4642410

6 of 9 defined stereocentres - 6/9 defined
InChI=1/C18H33ClN2O5S.ClH/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4;/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25);1H/t9?,10-,11+,12?,13+,14-,15-,16?,18-;/m1./s1
C18H34Cl2N2O5S461.4444300
23975881

4 of 9 defined stereocentres - 4/9 defined
InChI=1/C18H33ClN2O5S.ClH/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4;/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25);1H/t9?,10?,11-,12?,13-,14-,15?,16?,18-;/m1./s1
C18H34Cl2N2O5S461.4443100
32041044

6 of 9 defined stereocentres - 6/9 defined
InChI=1/C18H33ClN2O5S.ClH/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4;/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25);1H/t9?,10-,11+,12?,13+,14-,15+,16?,18-;/m1./s1
C18H34Cl2N2O5S461.4443200
71354062

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C18H33ClN2O5S.ClH/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4;/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25);1H/t9-,10+,11-,12?,13-,14+,15+,16+,18+;/m0./s1
C18H34Cl2N2O5S461.4443200
28441

4 of 9 defined stereocentres - 4/9 defined
InChI=1/C18H33ClN2O5S.ClH/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4;/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25);1H/t9-,10?,11+,12?,13?,14+,15?,16?,18+;/m0./s1
C18H34Cl2N2O5S461.443962200
17953601

1 of 9 defined stereocentres - 1/9 defined
InChI=1/C18H33ClN2O5S.ClH/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4;/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25);1H/t9?,10?,11-,12?,13?,14?,15?,16?,18?;/m0./s1
C18H34Cl2N2O5S461.4442100
12

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