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 16 results

Search term: AAYACJGHNRIFCT (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
19957773

Charge

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C26H43NO5.Na/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29;/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32);/q;+1/p-1/t15-,16+,17-,18-,19+,20+,21-,24+,25+,26-;/m1./s1
C26H42NNaO5471.6051464200
18525678

Charge

6 of 10 defined stereocentres - 6/10 defined
InChI=1/C26H43NO5.Na/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29;/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32);/q;+1/p-1/t15-,16?,17-,18-,19?,20?,21-,24?,25+,26-;/m1./s1
C26H42NNaO5471.605110600
17341402

Charge

8 of 10 defined stereocentres - 8/10 defined
InChI=1/C26H43NO5.Na/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29;/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32);/q;+1/p-1/t15-,16+,17-,18-,19+,20?,21-,24+,25?,26-;/m1./s1
C26H42NNaO5471.60517400
32701924

Charge

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C26H43NO5.Na/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29;/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32);/q;+1/p-1/t15-,16+,17-,18-,19+,20+,21+,24+,25+,26-;/m1./s1
C26H42NNaO5471.60516600
92170526

Charge

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C26H43NO5.Na/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29;/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32);/q;+1/p-1/t15-,16+,17-,18-,19+,20+,21-,24+,25-,26+;/m1./s1
C26H42NNaO5471.60515400
77499581

Charge

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C26H43NO5.Na/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29;/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32);/q;+1/p-1/t15-,16-,17-,18-,19+,20+,21-,24-,25-,26+;/m0./s1
C26H42NNaO5471.60513200
58783198

Charge

10 of 10 defined stereocentres - 10/10 defined

Non-standard isotope
InChI=1/C26H43NO5.Na/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29;/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32);/q;+1/p-1/t15-,16+,17-,18-,19+,20+,21-,24+,25+,26-;/m1./s1/i8D2,12D2,17D;
C26H37D5NNaO5476.6361100
110103293

Charge

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C26H43NO5.Na/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29;/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32);/q;+1/p-1/t15-,16+,17-,18+,19-,20-,21-,24+,25+,26-;/m1./s1
C26H42NNaO5471.60511100
110103294

Charge

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C26H43NO5.Na/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29;/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32);/q;+1/p-1/t15-,16+,17-,18-,19+,20+,21-,24+,25+,26-;/m0./s1
C26H42NNaO5471.60511100
113630570

Charge

8 of 10 defined stereocentres - 8/10 defined
InChI=1/C26H43NO5.Na/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29;/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32);/q;+1/p-1/t15-,16-,17-,18+,19-,20?,21-,24-,25?,26-;/m1./s1
C26H42NNaO5471.60511100
113630573

Charge

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C26H43NO5.Na/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29;/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32);/q;+1/p-1/t15-,16+,17+,18+,19-,20-,21-,24-,25-,26+;/m1./s1
C26H42NNaO5471.60511100
114565921

Charge

10 of 10 defined stereocentres - 10/10 defined

Non-standard isotope
InChI=1/C26H43NO5.Na/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29;/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32);/q;+1/p-1/t15-,16+,17+,18-,19+,20+,21-,24+,25+,26-;/m1./s1/i7D2,8D2,12D2,17D;
C26H35D7NNaO5478.64831100
114565950

Charge

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C26H43NO5.Na/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29;/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32);/q;+1/p-1/t15-,16-,17-,18-,19+,20-,21-,24+,25+,26-;/m1./s1
C26H42NNaO5471.60511100
114990005

Charge

8 of 10 defined stereocentres - 8/10 defined
InChI=1/C26H43NO5.Na/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29;/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32);/q;+1/p-1/t15-,16+,17-,18+,19-,20?,21-,24+,25?,26-;/m1./s1
C26H42NNaO5471.60511100
117035749

Charge

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C26H43NO5.Na/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29;/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32);/q;+1/p-1/t15-,16-,17-,18-,19-,20-,21-,24-,25-,26-;/m0./s1
C26H42NNaO5471.60511100

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