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 15 results

Search term: GDXMPYQBACNJOM (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
17463490

3 of 6 defined stereocentres - 3/6 defined
InChI=1/C21H29NO4/c1-12-9-22(10-13(2)25-12)11-16-15-5-7-21(4)8-6-17(23)14(3)18(21)19(15)26-20(16)24/h6,8,12-13,15-16,19H,5,7,9-11H2,1-4H3/t12?,13?,15-,16?,19-,21-/m0/s1
C21H29NO4359.45936200
505642

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C21H29NO4/c1-12-9-22(10-13(2)25-12)11-16-15-5-7-21(4)8-6-17(23)14(3)18(21)19(15)26-20(16)24/h6,8,12-13,15-16,19H,5,7,9-11H2,1-4H3
C21H29NO4359.45934400
1406708

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H29NO4/c1-12-9-22(10-13(2)25-12)11-16-15-5-7-21(4)8-6-17(23)14(3)18(21)19(15)26-20(16)24/h6,8,12-13,15-16,19H,5,7,9-11H2,1-4H3/t12-,13+,15-,16+,19+,21+/m0/s1
C21H29NO4359.45932100
1406710

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H29NO4/c1-12-9-22(10-13(2)25-12)11-16-15-5-7-21(4)8-6-17(23)14(3)18(21)19(15)26-20(16)24/h6,8,12-13,15-16,19H,5,7,9-11H2,1-4H3/t12-,13-,15+,16-,19-,21-/m1/s1
C21H29NO4359.45932100
1406712

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H29NO4/c1-12-9-22(10-13(2)25-12)11-16-15-5-7-21(4)8-6-17(23)14(3)18(21)19(15)26-20(16)24/h6,8,12-13,15-16,19H,5,7,9-11H2,1-4H3/t12-,13-,15-,16+,19+,21+/m0/s1
C21H29NO4359.45932100
4894514

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H29NO4/c1-12-9-22(10-13(2)25-12)11-16-15-5-7-21(4)8-6-17(23)14(3)18(21)19(15)26-20(16)24/h6,8,12-13,15-16,19H,5,7,9-11H2,1-4H3/t12-,13-,15-,16-,19-,21-/m0/s1
C21H29NO4359.45932100
10048939

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H29NO4/c1-12-9-22(10-13(2)25-12)11-16-15-5-7-21(4)8-6-17(23)14(3)18(21)19(15)26-20(16)24/h6,8,12-13,15-16,19H,5,7,9-11H2,1-4H3/t12-,13-,15+,16+,19+,21+/m1/s1
C21H29NO4359.45932100
10048936

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H29NO4/c1-12-9-22(10-13(2)25-12)11-16-15-5-7-21(4)8-6-17(23)14(3)18(21)19(15)26-20(16)24/h6,8,12-13,15-16,19H,5,7,9-11H2,1-4H3/t12-,13+,15-,16-,19-,21-/m0/s1
C21H29NO4359.45932100
10048937

Charge

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H29NO4/c1-12-9-22(10-13(2)25-12)11-16-15-5-7-21(4)8-6-17(23)14(3)18(21)19(15)26-20(16)24/h6,8,12-13,15-16,19H,5,7,9-11H2,1-4H3/p+1/t12-,13-,15-,16-,19-,21-/m0/s1
C21H30NO4360.46671100
10048938

Charge

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H29NO4/c1-12-9-22(10-13(2)25-12)11-16-15-5-7-21(4)8-6-17(23)14(3)18(21)19(15)26-20(16)24/h6,8,12-13,15-16,19H,5,7,9-11H2,1-4H3/p+1/t12-,13-,15+,16+,19+,21+/m1/s1
C21H30NO4360.46671100
10048935

Charge

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H29NO4/c1-12-9-22(10-13(2)25-12)11-16-15-5-7-21(4)8-6-17(23)14(3)18(21)19(15)26-20(16)24/h6,8,12-13,15-16,19H,5,7,9-11H2,1-4H3/p+1/t12-,13+,15-,16-,19-,21-/m0/s1
C21H30NO4360.46671100
1406711

Charge

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H29NO4/c1-12-9-22(10-13(2)25-12)11-16-15-5-7-21(4)8-6-17(23)14(3)18(21)19(15)26-20(16)24/h6,8,12-13,15-16,19H,5,7,9-11H2,1-4H3/p+1/t12-,13-,15-,16+,19+,21+/m0/s1
C21H30NO4360.46671100
1406709

Charge

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H29NO4/c1-12-9-22(10-13(2)25-12)11-16-15-5-7-21(4)8-6-17(23)14(3)18(21)19(15)26-20(16)24/h6,8,12-13,15-16,19H,5,7,9-11H2,1-4H3/p+1/t12-,13-,15+,16-,19-,21-/m1/s1
C21H30NO4360.46671100
1406707

Charge

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H29NO4/c1-12-9-22(10-13(2)25-12)11-16-15-5-7-21(4)8-6-17(23)14(3)18(21)19(15)26-20(16)24/h6,8,12-13,15-16,19H,5,7,9-11H2,1-4H3/p+1/t12-,13+,15-,16+,19+,21+/m0/s1
C21H30NO4360.46671100

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