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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 31 results

Search term: C21H30O14 (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
469480

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C21H30O14/c1-10(22)29-8-17(31-12(3)24)19(33-14(5)26)21(35-16(7)28)20(34-15(6)27)18(32-13(4)25)9-30-11(2)23/h17-21H,8-9H2,1-7H3
C21H30O14506.45458900
30837394

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C21H30O14/c22-6-12(25)16(28)17(29)13(26)7-34-21-20(32)19(31)18(30)14(35-21)8-33-15(27)4-2-9-1-3-10(23)11(24)5-9/h1-5,12-14,16-26,28-32H,6-8H2/b4-2+/t12-,13-,14-,16-,17-,18-,19+,20-,21-/m1/s1
C21H30O14506.45454400
149224

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H30O14/c1-8-9-19(30-12(3)24)21(33-15(6)27,34-16(7)28)20(31-13(4)25,32-14(5)26)18(29-11(2)23)17(10-22)35-19/h17-18,22H,8-10H2,1-7H3/t17-,18-,19-/m1/s1
C21H30O14506.45454400
3035968

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C21H30O14/c1-7(23)13-9(24)3-8(31-2)4-10(13)33-21-19(30)17(28)15(26)12(35-21)6-32-20-18(29)16(27)14(25)11(5-22)34-20/h3-4,11-12,14-22,24-30H,5-6H2,1-2H3
C21H30O14506.45453100
8589289

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C21H30O14/c1-2-8-18(31-5-9-17(28)30-4-3-21(8,9)29)35-20-16(27)14(25)13(24)11(34-20)7-33-19-15(26)12(23)10(22)6-32-19/h2,5,8,10-16,18-20,22-27,29H,1,3-4,6-7H2/t8-,10-,11-,12+,13-,14+,15-,16-,18-,19+,20+,21+/m0/s1
C21H30O14506.45452100
9039380

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C21H30O14/c1-8(33-10(3)23)15-11(5-14(24)25)12(19(29)30-4)6-32-20(15)35-21-18(28)17(27)16(26)13(34-21)7-31-9(2)22/h6,8,11,13,15-18,20-21,26-28H,5,7H2,1-4H3,(H,24,25)/t8?,11-,13-,15-,16-,17+,18-,20?,21+/m1/s1
C21H30O14506.45452100
9050109

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C21H30O14/c1-10(22)28-7-16(31-12(3)24)8-30-21-20(34-15(6)27)19(33-14(5)26)18(32-13(4)25)17(35-21)9-29-11(2)23/h16-21H,7-9H2,1-6H3/t16?,17-,18+,19+,20-,21-/m1/s1
C21H30O14506.45452100
9256860

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H30O14/c1-10(22)28-7-16(8-29-11(2)23)34-21-20(33-15(6)27)19(32-14(5)26)18(31-13(4)25)17(35-21)9-30-12(3)24/h16-21H,7-9H2,1-6H3/t17-,18-,19+,20-,21-/m1/s1
C21H30O14506.45452100
9481691

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C21H30O14/c1-2-8-18(31-5-9-17(28)30-4-3-21(8,9)29)35-20-16(27)14(25)13(24)11(34-20)7-33-19-15(26)12(23)10(22)6-32-19/h2,5,8,10-16,18-20,22-27,29H,1,3-4,6-7H2/t8-,10-,11+,12-,13+,14-,15+,16+,18-,19-,20-,21+/m0/s1
C21H30O14506.45452100
9595657

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H30O14/c1-10(22)30-9-16(32-12(3)24)18(34-14(5)26)19-17(33-13(4)25)15(31-11(2)23)8-21(29-7,35-19)20(27)28-6/h15-19H,8-9H2,1-7H3/t15-,16+,17+,18+,19+,21-/m0/s1
C21H30O14506.45452100
62314799

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C21H30O14/c1-7(23)13-9(24)3-8(31-2)4-10(13)33-21-19(30)17(28)15(26)12(35-21)6-32-20-18(29)16(27)14(25)11(5-22)34-20/h3-4,11-12,14-22,24-30H,5-6H2,1-2H3/t11-,12-,14+,15+,16+,17+,18+,19-,20-,21+/m0/s1
C21H30O14506.45452200
62315260

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C21H30O14/c1-7(23)13-9(24)3-8(31-2)4-10(13)33-21-19(30)17(28)15(26)12(35-21)6-32-20-18(29)16(27)14(25)11(5-22)34-20/h3-4,11-12,14-22,24-30H,5-6H2,1-2H3/t11-,12-,14+,15+,16+,17+,18+,19+,20-,21-/m0/s1
C21H30O14506.45452200
62316764

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H30O14/c1-10(22)29-8-17(31-12(3)24)19(33-14(5)26)21(35-16(7)28)20(34-15(6)27)18(32-13(4)25)9-30-11(2)23/h17-21H,8-9H2,1-7H3/t17-,18+,19-,20-,21+/m0/s1
C21H30O14506.45452200
62568593

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C21H30O14/c1-6-3-7(23)4-8(32-2)10(6)20(31)34-18-9(5-22)33-21(17(30)16(18)29)35-19-14(27)12(25)11(24)13(26)15(19)28/h3-4,9,11-19,21-30H,5H2,1-2H3/t9-,11-,12+,13-,14+,15+,16-,17-,18+,19-,21-/m1/s1
C21H30O14506.45452200
62568597

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C21H30O14/c1-6-3-7(23)4-8(32-2)10(6)20(31)34-18-9(5-22)33-21(17(30)16(18)29)35-19-14(27)12(25)11(24)13(26)15(19)28/h3-4,9,11-19,21-30H,5H2,1-2H3/t9-,11-,12-,13+,14-,15+,16-,17+,18+,19+,21+/m0/s1
C21H30O14506.45452200
62570114

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C21H30O14/c1-6-3-7(23)4-8(32-2)10(6)20(31)34-18-9(5-22)33-21(17(30)16(18)29)35-19-14(27)12(25)11(24)13(26)15(19)28/h3-4,9,11-19,21-30H,5H2,1-2H3/t9-,11-,12-,13+,14-,15+,16+,17-,18+,19+,21-/m1/s1
C21H30O14506.45452400
62574752

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C21H30O14/c1-6-3-7(23)4-8(32-2)10(6)20(31)34-18-9(5-22)33-21(17(30)16(18)29)35-19-14(27)12(25)11(24)13(26)15(19)28/h3-4,9,11-19,21-30H,5H2,1-2H3/t9-,11-,12-,13+,14+,15+,16+,17-,18+,19-,21-/m1/s1
C21H30O14506.45452300
62574760

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C21H30O14/c1-6-3-7(23)4-8(32-2)10(6)20(31)34-18-9(5-22)33-21(17(30)16(18)29)35-19-14(27)12(25)11(24)13(26)15(19)28/h3-4,9,11-19,21-30H,5H2,1-2H3/t9-,11-,12-,13+,14-,15+,16-,17+,18-,19+,21+/m0/s1
C21H30O14506.45452300
62574833

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C21H30O14/c1-6-3-7(23)4-8(32-2)10(6)20(31)34-18-9(5-22)33-21(17(30)16(18)29)35-19-14(27)12(25)11(24)13(26)15(19)28/h3-4,9,11-19,21-30H,5H2,1-2H3/t9-,11-,12+,13-,14+,15+,16+,17-,18-,19+,21-/m1/s1
C21H30O14506.45452200
62574838

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C21H30O14/c1-6-3-7(23)4-8(32-2)10(6)20(31)34-18-9(5-22)33-21(17(30)16(18)29)35-19-14(27)12(25)11(24)13(26)15(19)28/h3-4,9,11-19,21-30H,5H2,1-2H3/t9-,11-,12-,13+,14-,15+,16+,17-,18-,19+,21-/m1/s1
C21H30O14506.45452200
12

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