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 11 results

Search term: MCIYJCSAOJOHTR (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2175532

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C26H21NO4/c28-25(29)24-21-10-4-8-19(21)20-9-5-11-22(23(20)27-24)26(30)31-18-14-12-17(13-15-18)16-6-2-1-3-7-16/h1-9,11-15,19,21,24,27H,10H2,(H,28,29)
C26H21NO4411.44924181100
5342871

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C26H21NO4/c28-25(29)24-21-10-4-8-19(21)20-9-5-11-22(23(20)27-24)26(30)31-18-14-12-17(13-15-18)16-6-2-1-3-7-16/h1-9,11-15,19,21,24,27H,10H2,(H,28,29)/t19-,21+,24+/m1/s1
C26H21NO4411.44922100
10051307

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C26H21NO4/c28-25(29)24-21-10-4-8-19(21)20-9-5-11-22(23(20)27-24)26(30)31-18-14-12-17(13-15-18)16-6-2-1-3-7-16/h1-9,11-15,19,21,24,27H,10H2,(H,28,29)/t19-,21+,24-/m1/s1
C26H21NO4411.44922100
10051309

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C26H21NO4/c28-25(29)24-21-10-4-8-19(21)20-9-5-11-22(23(20)27-24)26(30)31-18-14-12-17(13-15-18)16-6-2-1-3-7-16/h1-9,11-15,19,21,24,27H,10H2,(H,28,29)/t19-,21-,24+/m1/s1
C26H21NO4411.44922100
985744

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C26H21NO4/c28-25(29)24-21-10-4-8-19(21)20-9-5-11-22(23(20)27-24)26(30)31-18-14-12-17(13-15-18)16-6-2-1-3-7-16/h1-9,11-15,19,21,24,27H,10H2,(H,28,29)/t19-,21-,24-/m0/s1
C26H21NO4411.44922100
10051311

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C26H21NO4/c28-25(29)24-21-10-4-8-19(21)20-9-5-11-22(23(20)27-24)26(30)31-18-14-12-17(13-15-18)16-6-2-1-3-7-16/h1-9,11-15,19,21,24,27H,10H2,(H,28,29)/t19-,21-,24-/m1/s1
C26H21NO4411.44922100
10051310

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C26H21NO4/c28-25(29)24-21-10-4-8-19(21)20-9-5-11-22(23(20)27-24)26(30)31-18-14-12-17(13-15-18)16-6-2-1-3-7-16/h1-9,11-15,19,21,24,27H,10H2,(H,28,29)/p-1/t19-,21-,24-/m1/s1
C26H20NO4410.44181100
10051308

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C26H21NO4/c28-25(29)24-21-10-4-8-19(21)20-9-5-11-22(23(20)27-24)26(30)31-18-14-12-17(13-15-18)16-6-2-1-3-7-16/h1-9,11-15,19,21,24,27H,10H2,(H,28,29)/p-1/t19-,21-,24+/m1/s1
C26H20NO4410.44181100
5446169

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C26H21NO4/c28-25(29)24-21-10-4-8-19(21)20-9-5-11-22(23(20)27-24)26(30)31-18-14-12-17(13-15-18)16-6-2-1-3-7-16/h1-9,11-15,19,21,24,27H,10H2,(H,28,29)/p-1/t19-,21-,24-/m0/s1
C26H20NO4410.44181100
10051306

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C26H21NO4/c28-25(29)24-21-10-4-8-19(21)20-9-5-11-22(23(20)27-24)26(30)31-18-14-12-17(13-15-18)16-6-2-1-3-7-16/h1-9,11-15,19,21,24,27H,10H2,(H,28,29)/p-1/t19-,21+,24-/m1/s1
C26H20NO4410.44181100
5342870

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C26H21NO4/c28-25(29)24-21-10-4-8-19(21)20-9-5-11-22(23(20)27-24)26(30)31-18-14-12-17(13-15-18)16-6-2-1-3-7-16/h1-9,11-15,19,21,24,27H,10H2,(H,28,29)/p-1/t19-,21+,24+/m1/s1
C26H20NO4410.44181100

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