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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 37 results

Search term: C21H32O9 (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
103041
InChI=1/C21H32O9/c1-5-18(22)28-12-9-25-15-21(8-4,16-26-10-13-29-19(23)6-2)17-27-11-14-30-20(24)7-3/h5-7H,1-3,8-17H2,4H3
C21H32O9428.4734324700
84208
InChI=1/C21H32O9/c1-4-19(22)28-13-7-10-25-16-18(27-12-9-15-30-21(24)6-3)17-26-11-8-14-29-20(23)5-2/h4-6,18H,1-3,7-17H2
C21H32O9428.4734181400
32701106

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C21H32O9/c1-9-11(28-19-16(25)15(24)14(23)12(8-22)29-19)4-5-20(3)6-7-21(27)10(2)18(26)30-17(21)13(9)20/h10-12,14-17,19,22-25,27H,4-8H2,1-3H3/t10-,11+,12+,14+,15-,16+,17-,19+,20+,21+/m0/s1
C21H32O9428.47344600
59007754

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C21H32O9/c1-7-4-11(23)15-9(3)20(27)30-19(15)14-8(2)12(5-10(7)14)28-21-18(26)17(25)16(24)13(6-22)29-21/h8-19,21-26H,1,4-6H2,2-3H3/t8-,9+,10+,11-,12+,13-,14+,15-,16-,17+,18-,19-,21-/m1/s1
C21H32O9428.47343300
26608455

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H32O9/c1-10(22)27-13-8-9-19(6,26)21-17(29-12(3)24)14(18(4,5)30-21)15(28-11(2)23)16(25)20(13,21)7/h13-17,25-26H,8-9H2,1-7H3/t13-,14+,15-,16-,17+,19-,20-,21-/m0/s1
C21H32O9428.47343300
26639688

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C21H32O9/c1-7-4-12(28-21-18(26)17(25)16(24)13(6-22)29-21)15-9(3)20(27)30-19(15)14-8(2)11(23)5-10(7)14/h8-19,21-26H,1,4-6H2,2-3H3/t8-,9+,10+,11-,12+,13-,14+,15-,16-,17+,18-,19-,21-/m1/s1
C21H32O9428.47343300
26644307

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C21H32O9/c1-7-4-12(28-21-18(26)17(25)16(24)13(6-22)29-21)15-9(3)20(27)30-19(15)14-8(2)11(23)5-10(7)14/h8-19,21-26H,1,4-6H2,2-3H3/t8-,9+,10+,11+,12+,13-,14+,15-,16-,17+,18-,19-,21-/m1/s1
C21H32O9428.47343200
68048314

Double-bond stereo

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C21H32O9/c1-5-21(4)6-11(23)13-10(3)19(27)30-18(13)14(21)9(2)8-28-20-17(26)16(25)15(24)12(7-22)29-20/h5,8,10-18,20,22-26H,1,6-7H2,2-4H3/b9-8+/t10-,11+,12-,13-,14?,15-,16+,17-,18+,20-,21-/m1/s1
C21H32O9428.47343200
138600

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C21H32O9/c1-8-4-13-11(9(2)19(27)28-13)5-12-10(8)6-15(23)21(12,3)30-20-18(26)17(25)16(24)14(7-22)29-20/h4,9-18,20,22-26H,5-7H2,1-3H3/t9-,10-,11+,12+,13+,14+,15+,16+,17-,18+,20-,21+/m0/s1
C21H32O9428.47343300
8449640

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C21H32O9/c1-6-24-14(22)10-8-7-9-11-15(23)26-17-16(13-12-25-20(2,3)28-13)27-19-18(17)29-21(4,5)30-19/h6,13,16-19H,1,7-12H2,2-5H3/t13?,16-,17+,18-,19-/m1/s1
C21H32O9428.47342100
8821538

12 of 13 defined stereocentres - 12/13 defined
InChI=1/C21H32O9/c1-8-4-12-10(9(2)18(26)27-12)6-21-11(8)5-14(20(21,3)30-21)29-19-17(25)16(24)15(23)13(7-22)28-19/h8-17,19,22-25H,4-7H2,1-3H3/t8-,9+,10+,11-,12-,13+,14?,15+,16-,17+,19-,20+,21-/m0/s1
C21H32O9428.47342100
9308845

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H32O9/c1-8-21(10-9-12(16(22)24-6)17(23)25-7)14(13-11-26-19(2,3)28-13)27-18-15(21)29-20(4,5)30-18/h8,12-15,18H,1,9-11H2,2-7H3/t13-,14-,15+,18-,21+/m1/s1
C21H32O9428.47342100
9308846

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H32O9/c1-20-7-6-12(22)13(17(25)28-2)14(20)16(24)15(23)10-9-21(18(26)29-3,19(27)30-4)8-5-11(10)20/h10-16,22-24H,5-9H2,1-4H3/t10-,11-,12+,13-,14-,15-,16+,20-/m1/s1
C21H32O9428.47342100
9525783

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H32O9/c1-21(2,3)20(24)27-10-13(6-14(23)9-22)19(30-11-25-4)15-7-17-18(29-12-28-17)8-16(15)26-5/h7-8,13-14,19,22-23H,6,9-12H2,1-5H3/t13-,14+,19+/m1/s1
C21H32O9428.47342100
9650699

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H32O9/c1-20(25-4)21(2,26-5)30-17-16(29-20)15(14(23)11-22)28-19(24-3)18(17)27-12-13-9-7-6-8-10-13/h6-10,14-19,22-23H,11-12H2,1-5H3/t14-,15+,16+,17-,18-,19-,20-,21-/m0/s1
C21H32O9428.47342100
9684995

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C21H32O9/c1-18(2)27-13-9-21(10-14(13)28-18)11(17(23)24-5)8-12-15(16(21)22)30-20(4,26-7)19(3,25-6)29-12/h11-15H,8-10H2,1-7H3/t11-,12-,13-,14+,15+,19+,20+,21?/m1/s1
C21H32O9428.47342100
9692341

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H32O9/c1-12-4-5-15-13(2)18(26-11-10-25-17(24)7-6-16(22)23)27-19-21(15)14(12)8-9-20(3,28-19)29-30-21/h12-15,18-19H,4-11H2,1-3H3,(H,22,23)/t12-,13-,14+,15+,18+,19-,20+,21-/m1/s1
C21H32O9428.47342100
81363721

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C21H32O9/c1-11(10-27-14(4)22)7-5-6-8-15-9-16(12(2)20(26)29-15)30-21-19(25)18(24)17(23)13(3)28-21/h9,11,13,17-19,21,23-25H,5-8,10H2,1-4H3/t11?,13-,17-,18+,19+,21-/m0/s1
C21H32O9428.47342200
59756067
InChI=1/C21H32O9/c22-20(23)6-8-25-10-12-27-14-16-29-17-15-28-13-11-26-9-7-21(24)30-18-19-4-2-1-3-5-19/h1-5H,6-18H2,(H,22,23)
C21H32O9428.47342200
68026577

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C21H32O9/c1-10-7-15-13(11(2)20(27)28-15)5-3-12(8-22)4-6-14(10)29-21-19(26)18(25)17(24)16(9-23)30-21/h4,7,11,13-19,21-26H,3,5-6,8-9H2,1-2H3/b10-7-,12-4+/t11-,13-,14-,15+,16+,17+,18-,19+,21+/m0/s1
C21H32O9428.47342200
12

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