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 4 results

Search term: SEGTZRRVJWOQKQ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
21834735

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H27NO6/c1-3-17-13(2)18-9-8-16(10-19(18)29-22(17)27)28-12-20(24)23-11-14-4-6-15(7-5-14)21(25)26/h8-10,14-15H,3-7,11-12H2,1-2H3,(H,23,24)(H,25,26)/t14-,15-
C22H27NO6401.4529151000
1401000

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C22H27NO6/c1-3-17-13(2)18-9-8-16(10-19(18)29-22(17)27)28-12-20(24)23-11-14-4-6-15(7-5-14)21(25)26/h8-10,14-15H,3-7,11-12H2,1-2H3,(H,23,24)(H,25,26)
C22H27NO6401.45299600
22875350

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C22H27NO6/c1-3-17-13(2)18-9-8-16(10-19(18)29-22(17)27)28-12-20(24)23-11-14-4-6-15(7-5-14)21(25)26/h8-10,14-15H,3-7,11-12H2,1-2H3,(H,23,24)(H,25,26)/t14-,15?
C22H27NO6401.45295200
1400999

Charge

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C22H27NO6/c1-3-17-13(2)18-9-8-16(10-19(18)29-22(17)27)28-12-20(24)23-11-14-4-6-15(7-5-14)21(25)26/h8-10,14-15H,3-7,11-12H2,1-2H3,(H,23,24)(H,25,26)/p-1
C22H26NO6400.44551100

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