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: KJXIOZWUBJODKB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
17466876

Charge

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C21H30NO4/c1-22(2)10-7-13-11-15(24-3)19-18-17(13)14(22)5-8-20(18)9-6-16(23)21(12-20,25-4)26-19/h11,14,16,23H,5-10,12H2,1-4H3/q+1/t14-,16+,20-,21?/m0/s1
C21H30NO4360.46673100
1169854

Charge

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H30NO4/c1-22(2)10-7-13-11-15(24-3)19-18-17(13)14(22)5-8-20(18)9-6-16(23)21(12-20,25-4)26-19/h11,14,16,23H,5-10,12H2,1-4H3/q+1/t14-,16+,20-,21-/m0/s1
C21H30NO4360.46672100
1413083

Charge

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H30NO4/c1-22(2)10-7-13-11-15(24-3)19-18-17(13)14(22)5-8-20(18)9-6-16(23)21(12-20,25-4)26-19/h11,14,16,23H,5-10,12H2,1-4H3/q+1/t14-,16-,20-,21-/m0/s1
C21H30NO4360.46672100
2905580

Charge

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C21H30NO4/c1-22(2)10-7-13-11-15(24-3)19-18-17(13)14(22)5-8-20(18)9-6-16(23)21(12-20,25-4)26-19/h11,14,16,23H,5-10,12H2,1-4H3/q+1
C21H30NO4360.46722100
10576758

Charge

1 of 4 defined stereocentres - 1/4 defined
InChI=1/C21H30NO4/c1-22(2)10-7-13-11-15(24-3)19-18-17(13)14(22)5-8-20(18)9-6-16(23)21(12-20,25-4)26-19/h11,14,16,23H,5-10,12H2,1-4H3/q+1/t14-,16?,20?,21?/m1/s1
C21H30NO4360.46671100

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