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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 23 results

Search term: RLUORQGMBKDXPO (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
22875181

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C21H24N2O3/c1-3-11-10-23-15-8-13(11)21(19(25)26-2)16(23)9-20(18(21)24)12-6-4-5-7-14(12)22-17(15)20/h3-7,13,15-18,22,24H,8-10H2,1-2H3/b11-3-/t13-,15-,16-,17+,18-,20+,21?/m0/s1
C21H24N2O3352.42697300
4743418

Double-bond stereo

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C21H24N2O3/c1-3-11-10-23-15-8-13(11)21(19(25)26-2)16(23)9-20(18(21)24)12-6-4-5-7-14(12)22-17(15)20/h3-7,13,15-18,22,24H,8-10H2,1-2H3/b11-3-
C21H24N2O3352.42695300
4948905

Double-bond stereo

3 of 7 defined stereocentres - 3/7 defined
InChI=1/C21H24N2O3/c1-3-11-10-23-15-8-13(11)21(19(25)26-2)16(23)9-20(18(21)24)12-6-4-5-7-14(12)22-17(15)20/h3-7,13,15-18,22,24H,8-10H2,1-2H3/b11-3-/t13?,15-,16-,17?,18-,20?,21?/m0/s1
C21H24N2O3352.42694400
81423665

Double-bond stereo

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C21H24N2O3/c1-3-11-10-23-15-8-13(11)21(19(25)26-2)16(23)9-20(18(21)24)12-6-4-5-7-14(12)22-17(15)20/h3-7,13,15-18,22,24H,8-10H2,1-2H3/b11-3-/t13-,15-,16-,17?,18+,20+,21?/m0/s1
C21H24N2O3352.42694400
88298411

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H24N2O3/c1-3-11-10-23-15-8-13(11)21(19(25)26-2)16(23)9-20(18(21)24)12-6-4-5-7-14(12)22-17(15)20/h3-7,13,15-18,22,24H,8-10H2,1-2H3/b11-3+/t13-,15-,16+,17+,18-,20-,21+/m0/s1
C21H24N2O3352.42694300
17466383

Double-bond stereo

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C21H24N2O3/c1-3-11-10-23-15-8-13(11)21(19(25)26-2)16(23)9-20(18(21)24)12-6-4-5-7-14(12)22-17(15)20/h3-7,13,15-18,22,24H,8-10H2,1-2H3/b11-3-/t13-,15+,16+,17-,18?,20-,21?/m1/s1
C21H24N2O3352.42693100
4524752

Double-bond stereo

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C21H24N2O3/c1-3-11-10-23-15-8-13(11)21(19(25)26-2)16(23)9-20(18(21)24)12-6-4-5-7-14(12)22-17(15)20/h3-7,13,15-18,22,24H,8-10H2,1-2H3/b11-3+
C21H24N2O3352.42693600
81422429

Double-bond stereo

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C21H24N2O3/c1-3-11-10-23-15-8-13(11)21(19(25)26-2)16(23)9-20(18(21)24)12-6-4-5-7-14(12)22-17(15)20/h3-7,13,15-18,22,24H,8-10H2,1-2H3/b11-3-/t13-,15+,16+,17?,18-,20-,21?/m1/s1
C21H24N2O3352.42693200
4530444

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C21H24N2O3/c1-3-11-10-23-15-8-13(11)21(19(25)26-2)16(23)9-20(18(21)24)12-6-4-5-7-14(12)22-17(15)20/h3-7,13,15-18,22,24H,8-10H2,1-2H3/b11-3-/t13?,15-,16-,17+,18-,20+,21+/m0/s1
C21H24N2O3352.42692200
4601863

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H24N2O3/c1-3-11-10-23-15-8-13(11)21(19(25)26-2)16(23)9-20(18(21)24)12-6-4-5-7-14(12)22-17(15)20/h3-7,13,15-18,22,24H,8-10H2,1-2H3/b11-3-/t13-,15-,16-,17+,18-,20+,21+/m1/s1
C21H24N2O3352.42692100
10045125

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H24N2O3/c1-3-11-10-23-15-8-13(11)21(19(25)26-2)16(23)9-20(18(21)24)12-6-4-5-7-14(12)22-17(15)20/h3-7,13,15-18,22,24H,8-10H2,1-2H3/b11-3+/t13-,15-,16-,17+,18-,20+,21+/m0/s1
C21H24N2O3352.42692100
10145668

Double-bond stereo

3 of 7 defined stereocentres - 3/7 defined
InChI=1/C21H24N2O3/c1-3-11-10-23-15-8-13(11)21(19(25)26-2)16(23)9-20(18(21)24)12-6-4-5-7-14(12)22-17(15)20/h3-7,13,15-18,22,24H,8-10H2,1-2H3/b11-3-/t13?,15?,16-,17?,18?,20+,21+/m1/s1
C21H24N2O3352.42692200
10254838

Double-bond stereo

4 of 7 defined stereocentres - 4/7 defined
InChI=1/C21H24N2O3/c1-3-11-10-23-15-8-13(11)21(19(25)26-2)16(23)9-20(18(21)24)12-6-4-5-7-14(12)22-17(15)20/h3-7,13,15-18,22,24H,8-10H2,1-2H3/b11-3-/t13-,15-,16-,17?,18?,20+,21?/m0/s1
C21H24N2O3352.42692200
10045123

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C21H24N2O3/c1-3-11-10-23-15-8-13(11)21(19(25)26-2)16(23)9-20(18(21)24)12-6-4-5-7-14(12)22-17(15)20/h3-7,13,15-18,22,24H,8-10H2,1-2H3/b11-3+/t13-,15-,16-,17+,18-,20+,21?/m0/s1
C21H24N2O3352.42692100
526364

Double-bond stereo

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C21H24N2O3/c1-3-11-10-23-15-8-13(11)21(19(25)26-2)16(23)9-20(18(21)24)12-6-4-5-7-14(12)22-17(15)20/h3-7,13,15-18,22,24H,8-10H2,1-2H3
C21H24N2O3352.42692100
32746971

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C21H24N2O3/c1-3-11-10-23-15-8-13(11)21(19(25)26-2)16(23)9-20(18(21)24)12-6-4-5-7-14(12)22-17(15)20/h3-7,13,15-18,22,24H,8-10H2,1-2H3/b11-3-/t13-,15+,16?,17-,18+,20-,21+/m1/s1
C21H24N2O3352.42691100
95504614

Double-bond stereo

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C21H24N2O3/c1-3-11-10-23-15-8-13(11)21(19(25)26-2)16(23)9-20(18(21)24)12-6-4-5-7-14(12)22-17(15)20/h3-7,13,15-18,22,24H,8-10H2,1-2H3/b11-3-/t13-,15-,16+,17?,18+,20+,21?/m0/s1
C21H24N2O3352.42691100
113598259

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C21H24N2O3/c1-3-11-10-23-15-8-13(11)21(19(25)26-2)16(23)9-20(18(21)24)12-6-4-5-7-14(12)22-17(15)20/h3-7,13,15-18,22,24H,8-10H2,1-2H3/b11-3-/t13-,15-,16-,17+,18-,20+,21?/m1/s1
C21H24N2O3352.42691100
129250964

Double-bond stereo

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C21H24N2O3/c1-3-11-10-23-15-8-13(11)21(19(25)26-2)16(23)9-20(18(21)24)12-6-4-5-7-14(12)22-17(15)20/h3-7,13,15-18,22,24H,8-10H2,1-2H3/b11-3-/t13?,15-,16-,17+,18-,20+,21?/m0/s1
C21H24N2O3352.42691100
10045124

Charge

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H24N2O3/c1-3-11-10-23-15-8-13(11)21(19(25)26-2)16(23)9-20(18(21)24)12-6-4-5-7-14(12)22-17(15)20/h3-7,13,15-18,22,24H,8-10H2,1-2H3/p+1/b11-3+/t13-,15-,16-,17+,18-,20+,21-/m0/s1
C21H25N2O3353.43431100
12

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