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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 11 results

Search term: LEWDAIUYDSBFND (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10207488

Double-bond stereo

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C22H28N2O3/c1-5-14-13-24-11-10-21-17-12-15(26-3)6-7-18(17)23(2)22(21,24)9-8-16(14)19(21)20(25)27-4/h5-7,12,16,19H,8-11,13H2,1-4H3/b14-5-/t16-,19?,21-,22?/m0/s1
C22H28N2O3368.46932200
21455762

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C22H28N2O3/c1-5-14-13-24-11-10-21-17-12-15(26-3)6-7-18(17)23(2)22(21,24)9-8-16(14)19(21)20(25)27-4/h5-7,12,16,19H,8-11,13H2,1-4H3/b14-5-/t16-,19?,21-,22-/m0/s1
C22H28N2O3368.469322713
29355678

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C22H28N2O3/c1-5-14-13-24-11-10-21-17-12-15(26-3)6-7-18(17)23(2)22(21,24)9-8-16(14)19(21)20(25)27-4/h5-7,12,16,19H,8-11,13H2,1-4H3/b14-5-/t16?,19-,21-,22-/m0/s1
C22H28N2O3368.46932200
74168767

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C22H28N2O3/c1-5-14-13-24-11-10-21-17-12-15(26-3)6-7-18(17)23(2)22(21,24)9-8-16(14)19(21)20(25)27-4/h5-7,12,16,19H,8-11,13H2,1-4H3/b14-5-/t16-,19-,21-,22?/m0/s1
C22H28N2O3368.46931100
74169028

Double-bond stereo

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C22H28N2O3/c1-5-14-13-24-11-10-21-17-12-15(26-3)6-7-18(17)23(2)22(21,24)9-8-16(14)19(21)20(25)27-4/h5-7,12,16,19H,8-11,13H2,1-4H3/b14-5-/t16?,19-,21-,22?/m0/s1
C22H28N2O3368.46931100
74176204

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C22H28N2O3/c1-5-14-13-24-11-10-21-17-12-15(26-3)6-7-18(17)23(2)22(21,24)9-8-16(14)19(21)20(25)27-4/h5-7,12,16,19H,8-11,13H2,1-4H3/b14-5-/t16?,19-,21-,22-/m1/s1
C22H28N2O3368.46931100
74181304

Double-bond stereo

1 of 4 defined stereocentres - 1/4 defined
InChI=1/C22H28N2O3/c1-5-14-13-24-11-10-21-17-12-15(26-3)6-7-18(17)23(2)22(21,24)9-8-16(14)19(21)20(25)27-4/h5-7,12,16,19H,8-11,13H2,1-4H3/b14-5-/t16?,19?,21-,22?/m0/s1
C22H28N2O3368.46931100
75576442

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H28N2O3/c1-5-14-13-24-11-10-21-17-12-15(26-3)6-7-18(17)23(2)22(21,24)9-8-16(14)19(21)20(25)27-4/h5-7,12,16,19H,8-11,13H2,1-4H3/b14-5-/t16-,19+,21+,22+/m1/s1
C22H28N2O3368.46931100
75590120

Double-bond stereo

1 of 4 defined stereocentres - 1/4 defined
InChI=1/C22H28N2O3/c1-5-14-13-24-11-10-21-17-12-15(26-3)6-7-18(17)23(2)22(21,24)9-8-16(14)19(21)20(25)27-4/h5-7,12,16,19H,8-11,13H2,1-4H3/b14-5-/t16?,19?,21?,22-/m0/s1
C22H28N2O3368.46931100
27525975

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H28N2O3/c1-5-14-13-24-11-10-21-17-12-15(26-3)6-7-18(17)23(2)22(21,24)9-8-16(14)19(21)20(25)27-4/h5-7,12,16,19H,8-11,13H2,1-4H3/b14-5-/t16-,19-,21-,22-/m0/s1
C22H28N2O3368.46931100
28286395

Double-bond stereo

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C22H28N2O3/c1-5-14-13-24-11-10-21-17-12-15(26-3)6-7-18(17)23(2)22(21,24)9-8-16(14)19(21)20(25)27-4/h5-7,12,16,19H,8-11,13H2,1-4H3/b14-5-/t16?,19?,21-,22-/m0/s1
C22H28N2O3368.46931100

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