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: OYQYAHPUBRQEQE (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2896131

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C26H23NO2S/c28-26(29)19-12-10-18(11-13-19)25-22-8-4-7-21(22)23-15-17(9-14-24(23)27-25)16-30-20-5-2-1-3-6-20/h1-7,9-15,21-22,25,27H,8,16H2,(H,28,29)
C26H23NO2S413.5313210600
5406086

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C26H23NO2S/c28-26(29)19-12-10-18(11-13-19)25-22-8-4-7-21(22)23-15-17(9-14-24(23)27-25)16-30-20-5-2-1-3-6-20/h1-7,9-15,21-22,25,27H,8,16H2,(H,28,29)/t21-,22-,25-/m0/s1
C26H23NO2S413.53132100
5464671

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C26H23NO2S/c28-26(29)19-12-10-18(11-13-19)25-22-8-4-7-21(22)23-15-17(9-14-24(23)27-25)16-30-20-5-2-1-3-6-20/h1-7,9-15,21-22,25,27H,8,16H2,(H,28,29)/t21-,22-,25+/m1/s1
C26H23NO2S413.53132100
5464673

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C26H23NO2S/c28-26(29)19-12-10-18(11-13-19)25-22-8-4-7-21(22)23-15-17(9-14-24(23)27-25)16-30-20-5-2-1-3-6-20/h1-7,9-15,21-22,25,27H,8,16H2,(H,28,29)/t21-,22+,25-/m0/s1
C26H23NO2S413.53132100
5464675

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C26H23NO2S/c28-26(29)19-12-10-18(11-13-19)25-22-8-4-7-21(22)23-15-17(9-14-24(23)27-25)16-30-20-5-2-1-3-6-20/h1-7,9-15,21-22,25,27H,8,16H2,(H,28,29)/t21-,22+,25+/m1/s1
C26H23NO2S413.53132100
34443006

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C26H23NO2S/c28-26(29)19-12-10-18(11-13-19)25-22-8-4-7-21(22)23-15-17(9-14-24(23)27-25)16-30-20-5-2-1-3-6-20/h1-7,9-15,21-22,25,27H,8,16H2,(H,28,29)/t21?,22?,25-/m1/s1
C26H23NO2S413.53132100
5464674

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C26H23NO2S/c28-26(29)19-12-10-18(11-13-19)25-22-8-4-7-21(22)23-15-17(9-14-24(23)27-25)16-30-20-5-2-1-3-6-20/h1-7,9-15,21-22,25,27H,8,16H2,(H,28,29)/p-1/t21-,22+,25+/m1/s1
C26H22NO2S412.52391100
5464672

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C26H23NO2S/c28-26(29)19-12-10-18(11-13-19)25-22-8-4-7-21(22)23-15-17(9-14-24(23)27-25)16-30-20-5-2-1-3-6-20/h1-7,9-15,21-22,25,27H,8,16H2,(H,28,29)/p-1/t21-,22+,25-/m0/s1
C26H22NO2S412.52391100
5464670

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C26H23NO2S/c28-26(29)19-12-10-18(11-13-19)25-22-8-4-7-21(22)23-15-17(9-14-24(23)27-25)16-30-20-5-2-1-3-6-20/h1-7,9-15,21-22,25,27H,8,16H2,(H,28,29)/p-1/t21-,22-,25+/m1/s1
C26H22NO2S412.52391100
2936226

Charge

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C26H23NO2S/c28-26(29)19-12-10-18(11-13-19)25-22-8-4-7-21(22)23-15-17(9-14-24(23)27-25)16-30-20-5-2-1-3-6-20/h1-7,9-15,21-22,25,27H,8,16H2,(H,28,29)/p-1
C26H22NO2S412.523381100
5406085

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C26H23NO2S/c28-26(29)19-12-10-18(11-13-19)25-22-8-4-7-21(22)23-15-17(9-14-24(23)27-25)16-30-20-5-2-1-3-6-20/h1-7,9-15,21-22,25,27H,8,16H2,(H,28,29)/p-1/t21-,22-,25-/m0/s1
C26H22NO2S412.52391100

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