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 18 results

Search term: UXWOXTQWVMFRSE (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9400379

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H27N3O7S/c1-13-6-7-18-21(29)23-8-4-2-3-5-14(26)9-15(27)10-19-24-16(11-31-19)20(28)25-17(12-33-18)22(30)32-13/h2-5,7,11,13-15,17,26-27H,6,8-10,12H2,1H3,(H,23,29)(H,25,28)/b4-2+,5-3+,18-7-/t13-,14-,15-,17-/m1/s1
C22H27N3O7S477.530710800
8429934

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H27N3O7S/c1-13-6-7-18-21(29)23-8-4-2-3-5-14(26)9-15(27)10-19-24-16(11-31-19)20(28)25-17(12-33-18)22(30)32-13/h2-5,7,11,13-15,17,26-27H,6,8-10,12H2,1H3,(H,23,29)(H,25,28)/b4-2+,5-3+,18-7-/t13-,14-,15+,17-/m1/s1
C22H27N3O7S477.530710600
24827871

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H27N3O7S/c1-13-6-7-18-21(29)23-8-4-2-3-5-14(26)9-15(27)10-19-24-16(11-31-19)20(28)25-17(12-33-18)22(30)32-13/h2-5,7,11,13-15,17,26-27H,6,8-10,12H2,1H3,(H,23,29)(H,25,28)/b4-2-,5-3-,18-7-/t13-,14-,15+,17-/m1/s1
C22H27N3O7S477.53075400
34521015

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H27N3O7S/c1-13-6-7-18-21(29)23-8-4-2-3-5-14(26)9-15(27)10-19-24-16(11-31-19)20(28)25-17(12-33-18)22(30)32-13/h2-5,7,11,13-15,17,26-27H,6,8-10,12H2,1H3,(H,23,29)(H,25,28)/b4-2-,5-3-,18-7-/t13-,14-,15-,17-/m1/s1
C22H27N3O7S477.53074500
4945287

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H27N3O7S/c1-13-6-7-18-21(29)23-8-4-2-3-5-14(26)9-15(27)10-19-24-16(11-31-19)20(28)25-17(12-33-18)22(30)32-13/h2-5,7,11,13-15,17,26-27H,6,8-10,12H2,1H3,(H,23,29)(H,25,28)/b4-2+,5-3-,18-7-/t13-,14-,15-,17-/m1/s1
C22H27N3O7S477.53074400
8966100

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H27N3O7S/c1-13-6-7-18-21(29)23-8-4-2-3-5-14(26)9-15(27)10-19-24-16(11-31-19)20(28)25-17(12-33-18)22(30)32-13/h2-5,7,11,13-15,17,26-27H,6,8-10,12H2,1H3,(H,23,29)(H,25,28)/b4-2+,5-3+,18-7-/t13-,14-,15-,17+/m1/s1
C22H27N3O7S477.53072100
13102172

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H27N3O7S/c1-13-6-7-18-21(29)23-8-4-2-3-5-14(26)9-15(27)10-19-24-16(11-31-19)20(28)25-17(12-33-18)22(30)32-13/h2-5,7,11,13-15,17,26-27H,6,8-10,12H2,1H3,(H,23,29)(H,25,28)/b4-2+,5-3+,18-7-/t13-,14+,15+,17-/m1/s1
C22H27N3O7S477.53071100
13104465

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H27N3O7S/c1-13-6-7-18-21(29)23-8-4-2-3-5-14(26)9-15(27)10-19-24-16(11-31-19)20(28)25-17(12-33-18)22(30)32-13/h2-5,7,11,13-15,17,26-27H,6,8-10,12H2,1H3,(H,23,29)(H,25,28)/b4-2+,5-3+,18-7-/t13-,14+,15-,17+/m1/s1
C22H27N3O7S477.53071100
13107344

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H27N3O7S/c1-13-6-7-18-21(29)23-8-4-2-3-5-14(26)9-15(27)10-19-24-16(11-31-19)20(28)25-17(12-33-18)22(30)32-13/h2-5,7,11,13-15,17,26-27H,6,8-10,12H2,1H3,(H,23,29)(H,25,28)/b4-2+,5-3+,18-7-/t13-,14+,15-,17-/m1/s1
C22H27N3O7S477.53071100
34978343

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H27N3O7S/c1-13-6-7-18-21(29)23-8-4-2-3-5-14(26)9-15(27)10-19-24-16(11-31-19)20(28)25-17(12-33-18)22(30)32-13/h2-5,7,11,13-15,17,26-27H,6,8-10,12H2,1H3,(H,23,29)(H,25,28)/b4-2-,5-3-,18-7-/t13-,14-,15+,17-/m0/s1
C22H27N3O7S477.53071100
64854151

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H27N3O7S/c1-13-6-7-18-21(29)23-8-4-2-3-5-14(26)9-15(27)10-19-24-16(11-31-19)20(28)25-17(12-33-18)22(30)32-13/h2-5,7,11,13-15,17,26-27H,6,8-10,12H2,1H3,(H,23,29)(H,25,28)/b4-2?,5-3+,18-7-/t13-,14-,15-,17-/m1/s1
C22H27N3O7S477.53071200
68027288

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C22H27N3O7S/c1-13-6-7-18-21(29)23-8-4-2-3-5-14(26)9-15(27)10-19-24-16(11-31-19)20(28)25-17(12-33-18)22(30)32-13/h2-5,7,11,13-15,17,26-27H,6,8-10,12H2,1H3,(H,23,29)(H,25,28)/b4-2-,5-3-,18-7-/t13-,14+,15+,17?/m0/s1
C22H27N3O7S477.53071100
79715755

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H27N3O7S/c1-13-6-7-18-21(29)23-8-4-2-3-5-14(26)9-15(27)10-19-24-16(11-31-19)20(28)25-17(12-33-18)22(30)32-13/h2-5,7,11,13-15,17,26-27H,6,8-10,12H2,1H3,(H,23,29)(H,25,28)/b4-2-,5-3-,18-7-/t13-,14+,15+,17-/m0/s1
C22H27N3O7S477.53071100
79715888

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C22H27N3O7S/c1-13-6-7-18-21(29)23-8-4-2-3-5-14(26)9-15(27)10-19-24-16(11-31-19)20(28)25-17(12-33-18)22(30)32-13/h2-5,7,11,13-15,17,26-27H,6,8-10,12H2,1H3,(H,23,29)(H,25,28)/b4-2-,5-3-,18-7-/t13-,14-,15?,17-/m1/s1
C22H27N3O7S477.53071100
107446007

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H27N3O7S/c1-13-6-7-18-21(29)23-8-4-2-3-5-14(26)9-15(27)10-19-24-16(11-31-19)20(28)25-17(12-33-18)22(30)32-13/h2-5,7,11,13-15,17,26-27H,6,8-10,12H2,1H3,(H,23,29)(H,25,28)/b4-2-,5-3-,18-7-/t13-,14-,15-,17+/m1/s1
C22H27N3O7S477.53071100
110417921

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C22H27N3O7S/c1-13-6-7-18-21(29)23-8-4-2-3-5-14(26)9-15(27)10-19-24-16(11-31-19)20(28)25-17(12-33-18)22(30)32-13/h2-5,7,11,13-15,17,26-27H,6,8-10,12H2,1H3,(H,23,29)(H,25,28)/b4-2-,5-3-,18-7-/t13-,14-,15-,17?/m1/s1
C22H27N3O7S477.53071100

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