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: CTQWOBLTNASUCS (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2661500

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H27NO6/c1-24-18-5-3-15(9-20(18)25-2)7-8-22-11-17(23)13-26-12-16-4-6-19-21(10-16)28-14-27-19/h3-6,9-10,17,22-23H,7-8,11-14H2,1-2H3
C21H27NO6389.44225300
1595072

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H27NO6/c1-24-18-5-3-15(9-20(18)25-2)7-8-22-11-17(23)13-26-12-16-4-6-19-21(10-16)28-14-27-19/h3-6,9-10,17,22-23H,7-8,11-14H2,1-2H3/t17-/m0/s1
C21H27NO6389.44222100
1595074

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H27NO6/c1-24-18-5-3-15(9-20(18)25-2)7-8-22-11-17(23)13-26-12-16-4-6-19-21(10-16)28-14-27-19/h3-6,9-10,17,22-23H,7-8,11-14H2,1-2H3/t17-/m1/s1
C21H27NO6389.44222100
1595071

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H27NO6/c1-24-18-5-3-15(9-20(18)25-2)7-8-22-11-17(23)13-26-12-16-4-6-19-21(10-16)28-14-27-19/h3-6,9-10,17,22-23H,7-8,11-14H2,1-2H3/p+1/t17-/m0/s1
C21H28NO6390.44961100
1595073

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H27NO6/c1-24-18-5-3-15(9-20(18)25-2)7-8-22-11-17(23)13-26-12-16-4-6-19-21(10-16)28-14-27-19/h3-6,9-10,17,22-23H,7-8,11-14H2,1-2H3/p+1/t17-/m1/s1
C21H28NO6390.44961100

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