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 6 results

Search term: BDWBILALDYSMLA (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
17462388

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C22H33NO4/c1-15-4-3-5-21(2)13-19-16(12-18(15)21)17(20(24)27-19)14-23-8-6-22(7-9-23)25-10-11-26-22/h12,15-17,19H,3-11,13-14H2,1-2H3/t15-,16+,17?,19+,21+/m0/s1
C22H33NO4375.501711800
3619095

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C22H33NO4/c1-15-4-3-5-21(2)13-19-16(12-18(15)21)17(20(24)27-19)14-23-8-6-22(7-9-23)25-10-11-26-22/h12,15-17,19H,3-11,13-14H2,1-2H3
C22H33NO4375.501724400
5029525

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H33NO4/c1-15-4-3-5-21(2)13-19-16(12-18(15)21)17(20(24)27-19)14-23-8-6-22(7-9-23)25-10-11-26-22/h12,15-17,19H,3-11,13-14H2,1-2H3/t15-,16+,17+,19+,21+/m0/s1
C22H33NO4375.50173100
1400225

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H33NO4/c1-15-4-3-5-21(2)13-19-16(12-18(15)21)17(20(24)27-19)14-23-8-6-22(7-9-23)25-10-11-26-22/h12,15-17,19H,3-11,13-14H2,1-2H3/t15-,16-,17+,19-,21-/m1/s1
C22H33NO4375.50172100
1400224

Charge

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H33NO4/c1-15-4-3-5-21(2)13-19-16(12-18(15)21)17(20(24)27-19)14-23-8-6-22(7-9-23)25-10-11-26-22/h12,15-17,19H,3-11,13-14H2,1-2H3/p+1/t15-,16-,17+,19-,21-/m1/s1
C22H34NO4376.50911100
5029524

Charge

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H33NO4/c1-15-4-3-5-21(2)13-19-16(12-18(15)21)17(20(24)27-19)14-23-8-6-22(7-9-23)25-10-11-26-22/h12,15-17,19H,3-11,13-14H2,1-2H3/p+1/t15-,16+,17+,19+,21+/m0/s1
C22H34NO4376.50911100

Advertisement