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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 16 results

Search term: XNUWGEPKIOWLHQ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
26625802

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C22H27NO5/c1-5-6-8-21-14-7-9-23(21)13-10-15(21)27-22(14)16(13)11(2)18(28-22)19-17(25-4)12(3)20(24)26-19/h6,8,11,13-16H,5,7,9-10H2,1-4H3/b8-6+,19-18-/t11-,13-,14+,15-,16+,21-,22+/m0/s1
C22H27NO5385.45353300
10269744

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C22H27NO5/c1-5-6-8-21-14-7-9-23(21)13-10-15(21)27-22(14)16(13)11(2)18(28-22)19-17(25-4)12(3)20(24)26-19/h6,8,11,13-16H,5,7,9-10H2,1-4H3/b8-6+,19-18-/t11-,13+,14+,15-,16+,21-,22?/m1/s1
C22H27NO5385.453533611
4414228

Double-bond stereo

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C22H27NO5/c1-5-6-8-21-14-7-9-23(21)13-10-15(21)27-22(14)16(13)11(2)18(28-22)19-17(25-4)12(3)20(24)26-19/h6,8,11,13-16H,5,7,9-10H2,1-4H3
C22H27NO5385.453482100
8040624

Double-bond stereo

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C22H27NO5/c1-5-6-8-21-14-7-9-23(21)13-10-15(21)27-22(14)16(13)11(2)18(28-22)19-17(25-4)12(3)20(24)26-19/h6,8,11,13-16H,5,7,9-10H2,1-4H3/b8-6+,19-18-/t11-,13+,14+,15-,16?,21-,22?/m1/s1
C22H27NO5385.45352100
8198557

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C22H27NO5/c1-5-6-8-21-14-7-9-23(21)13-10-15(21)27-22(14)16(13)11(2)18(28-22)19-17(25-4)12(3)20(24)26-19/h6,8,11,13-16H,5,7,9-10H2,1-4H3/b8-6+,19-18-/t11-,13+,14+,15-,16?,21-,22+/m1/s1
C22H27NO5385.45352100
8424977

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C22H27NO5/c1-5-6-8-21-14-7-9-23(21)13-10-15(21)27-22(14)16(13)11(2)18(28-22)19-17(25-4)12(3)20(24)26-19/h6,8,11,13-16H,5,7,9-10H2,1-4H3/b8-6+,19-18+/t11-,13+,14+,15-,16?,21-,22+/m1/s1
C22H27NO5385.45352100
8747542

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C22H27NO5/c1-5-6-8-21-14-7-9-23(21)13-10-15(21)27-22(14)16(13)11(2)18(28-22)19-17(25-4)12(3)20(24)26-19/h6,8,11,13-16H,5,7,9-10H2,1-4H3/b8-6+,19-18-/t11-,13+,14+,15+,16?,21+,22+/m0/s1
C22H27NO5385.45352100
9375068

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C22H27NO5/c1-5-6-8-21-14-7-9-23(21)13-10-15(21)27-22(14)16(13)11(2)18(28-22)19-17(25-4)12(3)20(24)26-19/h6,8,11,13-16H,5,7,9-10H2,1-4H3/b8-6+,19-18+/t11-,13-,14-,15-,16?,21-,22+/m0/s1
C22H27NO5385.45352100
9727534

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C22H27NO5/c1-5-6-8-21-14-7-9-23(21)13-10-15(21)27-22(14)16(13)11(2)18(28-22)19-17(25-4)12(3)20(24)26-19/h6,8,11,13-16H,5,7,9-10H2,1-4H3/b8-6+,19-18-/t11-,13-,14-,15-,16?,21+,22+/m0/s1
C22H27NO5385.45352100
29784837

Double-bond stereo

1 of 7 defined stereocentres - 1/7 defined
InChI=1/C22H27NO5/c1-5-6-8-21-14-7-9-23(21)13-10-15(21)27-22(14)16(13)11(2)18(28-22)19-17(25-4)12(3)20(24)26-19/h6,8,11,13-16H,5,7,9-10H2,1-4H3/b8-6+,19-18-/t11-,13?,14?,15?,16?,21?,22?/m0/s1
C22H27NO5385.453481100
35518241

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C22H27NO5/c1-5-6-8-21-14-7-9-23(21)13-10-15(21)27-22(14)16(13)11(2)18(28-22)19-17(25-4)12(3)20(24)26-19/h6,8,11,13-16H,5,7,9-10H2,1-4H3/b8-6+,19-18-/t11-,13-,14-,15-,16+,21?,22+/m0/s1
C22H27NO5385.45351100
58145293

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C22H27NO5/c1-5-6-8-21-14-7-9-23(21)13-10-15(21)27-22(14)16(13)11(2)18(28-22)19-17(25-4)12(3)20(24)26-19/h6,8,11,13-16H,5,7,9-10H2,1-4H3/b8-6+,19-18-/t11-,13-,14+,15?,16+,21-,22+/m0/s1
C22H27NO5385.45351100
58170481

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C22H27NO5/c1-5-6-8-21-14-7-9-23(21)13-10-15(21)27-22(14)16(13)11(2)18(28-22)19-17(25-4)12(3)20(24)26-19/h6,8,11,13-16H,5,7,9-10H2,1-4H3/b8-6+,19-18-/t11-,13-,14-,15-,16+,21-,22+/m0/s1
C22H27NO5385.45351100
65321755

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C22H27NO5/c1-5-6-8-21-14-7-9-23(21)13-10-15(21)27-22(14)16(13)11(2)18(28-22)19-17(25-4)12(3)20(24)26-19/h6,8,11,13-16H,5,7,9-10H2,1-4H3/b8-6+,19-18-/t11-,13-,14?,15-,16+,21-,22+/m0/s1
C22H27NO5385.45351100
65322538

Double-bond stereo

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C22H27NO5/c1-5-6-8-21-14-7-9-23(21)13-10-15(21)27-22(14)16(13)11(2)18(28-22)19-17(25-4)12(3)20(24)26-19/h6,8,11,13-16H,5,7,9-10H2,1-4H3/b8-6+,19-18-/t11-,13-,14?,15-,16+,21?,22+/m0/s1
C22H27NO5385.45351100
24662972

Double-bond stereo

2 of 7 defined stereocentres - 2/7 defined
InChI=1/C22H27NO5/c1-5-6-8-21-14-7-9-23(21)13-10-15(21)27-22(14)16(13)11(2)18(28-22)19-17(25-4)12(3)20(24)26-19/h6,8,11,13-16H,5,7,9-10H2,1-4H3/b8-6+,19-18-/t11-,13?,14?,15?,16?,21?,22-/m1/s1
C22H27NO5385.45351100

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