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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
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Isotopically Labeled
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Found 244 results

Search term: C21H22O10 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
83766

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18+,19-,20+,21+/m0/s1
C21H22O10434.3934538100
4955827

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H22O10/c1-8-15(25)17(27)18(28)21(29-8)31-20-16(26)14-12(24)6-11(23)7-13(14)30-19(20)9-2-4-10(22)5-3-9/h2-8,15,17-25,27-28H,1H3/t8-,15-,17+,18+,19+,20-,21-/m0/s1
C21H22O10434.3934514500
24846343

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H22O10/c22-7-14-17(27)18(28)19(29)21(31-14)16-11(25)5-10(24)15-12(26)6-13(30-20(15)16)8-1-3-9(23)4-2-8/h1-5,13-14,17-19,21-25,27-29H,6-7H2/t13-,14+,17+,18-,19+,21-/m0/s1
C21H22O10434.3934252200
28424547

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H22O10/c22-12-3-5-13(6-4-12)30-21-20(28)19(27)18(26)16(31-21)10-29-17(25)8-2-11-1-7-14(23)15(24)9-11/h1-9,16,18-24,26-28H,10H2/b8-2+/t16-,18-,19+,20-,21-/m1/s1
C21H22O10434.3934242000
28537011

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16-,18-,19+,20-,21-/m1/s1
C21H22O10434.3934211200
4533593
InChI=1/C21H22O10/c1-25-10-7-9(8-11(26-2)17(10)27-3)16-20(29-5)14(23)12-13(22)19(28-4)15(24)21(30-6)18(12)31-16/h7-8,22,24H,1-6H3
C21H22O10434.3934212000
141212

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H22O10/c22-7-14-17(26)19(28)20(29)21(31-14)16-11(25)6-13-15(18(16)27)10(24)5-12(30-13)8-1-3-9(23)4-2-8/h1-4,6,12,14,17,19-23,25-29H,5,7H2/t12-,14+,17+,19-,20+,21-/m0/s1
C21H22O10434.3934181500
138808

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-3-1-9(2-4-11)14-7-13(25)17-12(24)5-10(23)6-15(17)30-14/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18+,19-,20+,21+/m0/s1
C21H22O10434.3934171800
8086418

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14?,16-,18-,19+,20-,21-/m1/s1
C21H22O10434.39341723105
20120073

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H22O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-8,16,18-24,26-29H,9H2/b6-3+/t16-,18-,19+,20-,21-/m1/s1
C21H22O10434.3934161700
22913722

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H22O10/c22-12-1-3-14(4-2-12)30-20-19(27)18(26)17(25)15(31-20)11-29-16(24)7-10-21(28)8-5-13(23)6-9-21/h1-10,15,17-20,22,25-28H,11H2/b10-7+/t15-,17-,18+,19-,20-/m1/s1
C21H22O10434.3934141300
11559081

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C21H22O10/c22-7-14-17(26)19(28)20(29)21(31-14)16-11(25)6-13-15(18(16)27)10(24)5-12(30-13)8-1-3-9(23)4-2-8/h1-4,6,12,14,17,19-23,25-29H,5,7H2
C21H22O10434.3934131300
8247104
InChI=1/C21H22O10/c1-25-11-8-9(7-10(22)16(11)26-2)15-18(27-3)13(23)12-14(24)19(28-4)21(30-6)20(29-5)17(12)31-15/h7-8,22,24H,1-6H3
C21H22O10434.3934111000
2299812

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H22O10/c1-8-3-11(23)16-12(29-8)5-9-4-10(28-2)6-13(15(9)18(16)25)30-21-20(27)19(26)17(24)14(7-22)31-21/h3-6,14,17,19-22,24-27H,7H2,1-2H3/t14-,17-,19+,20-,21-/m1/s1
C21H22O10434.3933810900
23551150

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)30-15-6-11(24)5-14-17(15)12(25)7-13(29-14)9-1-3-10(23)4-2-9/h1-6,13,16,18-24,26-28H,7-8H2/t13?,16-,18-,19+,20-,21-/m1/s1
C21H22O10434.39349800
29273185

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H22O10/c1-8-15(25)17(27)18(28)21(29-8)31-20-16(26)14-12(24)6-11(23)7-13(14)30-19(20)9-2-4-10(22)5-3-9/h2-8,15,17-25,27-28H,1H3/t8-,15-,17+,18+,19+,20+,21-/m0/s1
C21H22O10434.39349900
26378820

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C21H22O10/c22-7-14-17(26)19(28)20(29)21(31-14)16-11(25)6-13-15(18(16)27)10(24)5-12(30-13)8-1-3-9(23)4-2-8/h1-4,6,12,14,17,19-23,25-29H,5,7H2/t12?,14-,17-,19+,20-,21+/m1/s1
C21H22O10434.39349900
20100728

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)30-15-6-11(24)5-14-17(15)12(25)7-13(29-14)9-1-3-10(23)4-2-9/h1-6,13,16,18-24,26-28H,7-8H2/t13-,16+,18+,19-,20+,21+/m0/s1
C21H22O10434.39348700
2340793

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)30-15-6-11(24)5-14-17(15)12(25)7-13(29-14)9-1-3-10(23)4-2-9/h1-6,13,16,18-24,26-28H,7-8H2/t13-,16-,18-,19+,20-,21-/m1/s1
C21H22O10434.393388800
2280019

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C21H22O10/c22-6-8-4-10-15(12(25)5-8)17(27)14-9(2-1-3-11(14)24)20(10)31-21-19(29)18(28)16(26)13(7-23)30-21/h1-5,13,16,18-26,28-29H,6-7H2/t13-,16-,18+,19-,20?,21+/m1/s1
C21H22O10434.393388800
12345

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