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 7 results

Search term: QVVOZYKELHAIPX (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
28529144

Charge

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C21H28NO4/c1-22(11-13-7-8-13)17-9-15(10-18(22)20-19(17)26-20)25-21(24)16(12-23)14-5-3-2-4-6-14/h2-6,13,15-20,23H,7-12H2,1H3/q+1/t15-,16-,17-,18+,19-,20+,22?/m1/s1
C21H28NO4358.45085500
382566

Charge

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C21H28NO4/c1-22(11-13-7-8-13)17-9-15(10-18(22)20-19(17)26-20)25-21(24)16(12-23)14-5-3-2-4-6-14/h2-6,13,15-20,23H,7-12H2,1H3/q+1
C21H28NO4358.45084300
32700240

Charge

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C21H28NO4/c1-22(11-13-7-8-13)17-9-15(10-18(22)20-19(17)26-20)25-21(24)16(12-23)14-5-3-2-4-6-14/h2-6,13,15-20,23H,7-12H2,1H3/q+1/t15?,16-,17+,18+,19-,20+,22?/m1/s1
C21H28NO4358.45082200
34991291

Charge

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C21H28NO4/c1-22(11-13-7-8-13)17-9-15(10-18(22)20-19(17)26-20)25-21(24)16(12-23)14-5-3-2-4-6-14/h2-6,13,15-20,23H,7-12H2,1H3/q+1/t15-,16-,17-,18?,19-,20+,22+/m1/s1
C21H28NO4358.45081100
5293164

Charge

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C21H28NO4/c1-22(11-13-7-8-13)17-9-15(10-18(22)20-19(17)26-20)25-21(24)16(12-23)14-5-3-2-4-6-14/h2-6,13,15-20,23H,7-12H2,1H3/q+1/t15?,16-,17-,18+,19-,20+,22?/m0/s1
C21H28NO4358.451321100
8224305

Charge

1 of 7 defined stereocentres - 1/7 defined
InChI=1/C21H28NO4/c1-22(11-13-7-8-13)17-9-15(10-18(22)20-19(17)26-20)25-21(24)16(12-23)14-5-3-2-4-6-14/h2-6,13,15-20,23H,7-12H2,1H3/q+1/t15?,16-,17?,18?,19?,20?,22?/m1/s1
C21H28NO4358.45081100
10142942

Charge

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C21H28NO4/c1-22(11-13-7-8-13)17-9-15(10-18(22)20-19(17)26-20)25-21(24)16(12-23)14-5-3-2-4-6-14/h2-6,13,15-20,23H,7-12H2,1H3/q+1/t15?,16-,17-,18-,19-,20+,22?/m0/s1
C21H28NO4358.45081100

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