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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
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Found 275 results

Search term: C21H32O6 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
28290377
InChI=1/C21H32O6/c1-6-8-9-10-11-12-17(22)15-13-18(24-3)21(26-5)20(25-4)16(15)14-19(23)27-7-2/h13H,6-12,14H2,1-5H3
C21H32O6380.4752302900
4476431

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C21H32O6/c1-5-6-7-8-18(26-15(2)22)14-19(27-16(3)23)11-9-17-10-12-20(24)21(13-17)25-4/h10,12-13,18-19,24H,5-9,11,14H2,1-4H3
C21H32O6380.4752191800
57583142

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H32O6/c1-5-6-7-8-18(26-15(2)22)14-19(27-16(3)23)11-9-17-10-12-20(24)21(13-17)25-4/h10,12-13,18-19,24H,5-9,11,14H2,1-4H3/t18-,19+/m0/s1
C21H32O6380.4752131100
2197712

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H32O6/c1-5-16(4)17-10-8-9-11-19(17)27-15-14-24-13-12-18(20(22)25-6-2)21(23)26-7-3/h8-11,16,18H,5-7,12-15H2,1-4H3
C21H32O6380.47518131000
34252061

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H32O6/c1-5-6-7-8-16(23)27-14-11-13-12-26-18(24)21(13,25)20(4)15(22)9-10-19(2,3)17(14)20/h11,14-15,17,22,25H,5-10,12H2,1-4H3/t14-,15-,17+,20+,21+/m1/s1
C21H32O6380.4752121300
57256973

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C21H32O6/c1-12-8-17(23)21(3)14(19(25)26-4)6-5-7-16(21)20(12,2)10-15(22)13-9-18(24)27-11-13/h9,12,14-17,22-23H,5-8,10-11H2,1-4H3/t12-,14?,15+,16-,17+,20+,21+/m1/s1
C21H32O6380.4752121000
4942929

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C21H32O6/c1-7-18-15(4)9-13(2)8-14(3)10-17(26-6)11-21(25,12-22)19(23)16(5)20(24)27-18/h9-10,14,16,18,22,25H,2,7-8,11-12H2,1,3-6H3/b15-9+,17-10-/t14-,16+,18-,21?/m0/s1
C21H32O6380.47529900
103846898

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H32O6/c1-5-6-7-8-16(23)27-14-11-13-18(24)26-12-21(13,25)20(4)15(22)9-10-19(2,3)17(14)20/h11,14-15,17,22,25H,5-10,12H2,1-4H3/t14-,15-,17+,20+,21-/m1/s1
C21H32O6380.475291000
342874
InChI=1/C21H32O6/c1-9-26-17(23)21(25,18(24)27-10-2)13-11-14(19(3,4)5)16(22)15(12-13)20(6,7)8/h11-12,22,25H,9-10H2,1-8H3
C21H32O6380.47528600
72391302

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C21H32O6/c1-12(22)19(25)8-9-21(27)18(19,3)16(24)11-15-17(2)6-5-14(23)10-13(17)4-7-20(15,21)26/h4,14-16,23-27H,5-11H2,1-3H3
C21H32O6380.47526800
77484147

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C21H32O6/c1-12(5-7-22)17-13(2)9-14-10-20(3,27)11-15(19(25)26)18(14)21(17,4)16(24)6-8-23/h5,9,14-15,17-18,22-23,27H,6-8,10-11H2,1-4H3,(H,25,26)/b12-5+
C21H32O6380.47526500
5144846

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H32O6/c1-12(2)20-10-7-13-18(3)8-6-9-19(4,16(22)23-5)14(18)11-15-21(13,24-15)17(25-20)26-27-20/h12-15,17H,6-11H2,1-5H3/t13-,14-,15-,17-,18-,19-,20-,21+/m1/s1
C21H32O6380.47526500
8605302

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H32O6/c1-13-6-4-8-14(2)17-18-15-12-16(20(3,26-17)9-5-7-13)24-11-10-21(15,27-23)19(22)25-18/h7,14-18,23H,4-6,8-12H2,1-3H3/b13-7+/t14-,15-,16-,17+,18-,20+,21+/m1/s1
C21H32O6380.47526500
8913898

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H32O6/c1-7-18-15(4)9-13(2)8-14(3)10-17(26-6)11-21(25,12-22)19(23)16(5)20(24)27-18/h9-10,14,16,18,22,25H,2,7-8,11-12H2,1,3-6H3/b15-9+,17-10-/t14-,16+,18-,21-/m0/s1
C21H32O6380.47525400
9008948

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C21H32O6/c1-19-9-4-10-20(2,18(24)26-3)15(19)7-11-21(25,13-22)16(19)6-5-14-8-12-27-17(14)23/h8,15-16,22,25H,4-7,9-13H2,1-3H3/t15?,16-,19+,20+,21+/m1/s1
C21H32O6380.47525400
9265351
InChI=1/C21H32O6/c1-15-17(19(24)21(26-4)20(25-3)18(15)23)13-11-9-7-5-6-8-10-12-14-27-16(2)22/h5-14H2,1-4H3
C21H32O6380.47525200
9603822

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H32O6/c1-12-8-17(23)21(3)14(19(25)26-4)6-5-7-16(21)20(12,2)10-15(22)13-9-18(24)27-11-13/h9,12,14-17,22-23H,5-8,10-11H2,1-4H3/t12-,14+,15+,16-,17+,20+,21+/m1/s1
C21H32O6380.47525500
22369957

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C21H32O6/c1-5-6-7-8-16(23)27-14-11-13-12-26-18(24)21(13,25)20(4)15(22)9-10-19(2,3)17(14)20/h11,14-15,17,22,25H,5-10,12H2,1-4H3
C21H32O6380.47525200
554887

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H32O6/c1-13-6-9-20-15(19(13,2)8-7-14-10-17(23)26-11-14)4-5-16(22)21(20,24)12-27-18(20)25-3/h10,13,15-16,18,22,24H,4-9,11-12H2,1-3H3/t13-,15-,16+,18-,19+,20+,21-/m0/s1
C21H32O6380.47525400
2641297

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C21H32O6/c1-18-7-6-15-20-8-5-12(22)11-19(20,25)9-10-21(15,27-17(20)26-2)14(18)4-3-13(18)16(23)24/h12-15,17,22,25H,3-11H2,1-2H3,(H,23,24)
C21H32O6380.47525300
12345

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