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 5 results

Search term: KXEPELZEWQYLKO (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
23177904

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H21NO4S/c22-21(20(25)26,13-9-12(10-13)19(23)24)11-16-14-5-1-3-7-17(14)27-18-8-4-2-6-15(16)18/h1-8,12-13,16H,9-11,22H2,(H,23,24)(H,25,26)/t12-,13+,21-/m0/s1
C21H21NO4S383.460791000
4470775

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C21H21NO4S/c22-21(20(25)26,13-9-12(10-13)19(23)24)11-16-14-5-1-3-7-17(14)27-18-8-4-2-6-15(16)18/h1-8,12-13,16H,9-11,22H2,(H,23,24)(H,25,26)/t12?,13?,21-/m0/s1
C21H21NO4S383.460744300
8127587

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C21H21NO4S/c22-21(20(25)26,13-9-12(10-13)19(23)24)11-16-14-5-1-3-7-17(14)27-18-8-4-2-6-15(16)18/h1-8,12-13,16H,9-11,22H2,(H,23,24)(H,25,26)
C21H21NO4S383.46073200
64880388

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C21H21NO4S/c22-21(20(25)26,13-9-12(10-13)19(23)24)11-16-14-5-1-3-7-17(14)27-18-8-4-2-6-15(16)18/h1-8,12-13,16H,9-11,22H2,(H,23,24)(H,25,26)/t12-,13+,21?
C21H21NO4S383.46071100
65322352

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C21H21NO4S/c22-21(20(25)26,13-9-12(10-13)19(23)24)11-16-14-5-1-3-7-17(14)27-18-8-4-2-6-15(16)18/h1-8,12-13,16H,9-11,22H2,(H,23,24)(H,25,26)/t12-,13?,21-/m0/s1
C21H21NO4S383.46071100

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