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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 47 results

Search term: C21H30O11 (Found by molecular formula)
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
34991041

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C21H30O11/c1-8-3-11-20(6-23,16(28)12(8)24)19(2)4-9(17(32-11)21(19)7-29-21)30-18-15(27)14(26)13(25)10(5-22)31-18/h3,9-11,13-18,22-23,25-28H,4-7H2,1-2H3/t9-,10-,11-,13-,14+,15-,16-,17-,18-,19-,20-,21+/m1/s1
C21H30O11458.4563172600
31014622

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C21H30O11/c1-3-4-10-5-6-12(13(7-10)28-2)31-21-19(27)17(25)16(24)14(32-21)9-30-20-18(26)15(23)11(22)8-29-20/h3,5-7,11,14-27H,1,4,8-9H2,2H3/t11-,14+,15-,16+,17-,18+,19+,20-,21+/m0/s1
C21H30O11458.456391000
76859770

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H30O11/c1-3-4-11-5-6-12(13(7-11)28-2)31-19-17(25)16(24)15(23)14(32-19)8-29-20-18(26)21(27,9-22)10-30-20/h3,5-7,14-20,22-27H,1,4,8-10H2,2H3/t14-,15-,16+,17-,18+,19-,20-,21-/m1/s1
C21H30O11458.45636400
74886482

0 of 12 defined stereocentres - 0/12 defined
InChI=1/C21H30O11/c1-8-3-11-20(6-23,16(28)12(8)24)19(2)4-9(17(32-11)21(19)7-29-21)30-18-15(27)14(26)13(25)10(5-22)31-18/h3,9-11,13-18,22-23,25-28H,4-7H2,1-2H3
C21H30O11458.45634400
159174

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C21H30O11/c1-8-3-11-20(6-23,16(28)12(8)24)19(2)4-9(17(32-11)21(19)7-29-21)30-18-15(27)14(26)13(25)10(5-22)31-18/h3,9-11,13-18,22-23,25-28H,4-7H2,1-2H3/t9-,10+,11+,13+,14-,15+,16-,17+,18+,19+,20+,21?/m0/s1
C21H30O11458.45634400
159177

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C21H30O11/c1-8-3-11-20(16(28)12(8)24,19(2)4-9(23)17(32-11)21(19)7-30-21)6-29-18-15(27)14(26)13(25)10(5-22)31-18/h3,9-11,13-18,22-23,25-28H,4-7H2,1-2H3/t9-,10-,11-,13-,14+,15-,16-,17-,18-,19-,20-,21?/m1/s1
C21H30O11458.45633300
90615847

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C21H30O11/c1-3-4-10-5-6-11(22)12(7-10)31-21-19(28)17(26)15(24)13(32-21)8-29-20-18(27)16(25)14(23)9(2)30-20/h3,5-7,9,13-28H,1,4,8H2,2H3/t9-,13+,14-,15+,16+,17-,18+,19+,20+,21+/m0/s1
C21H30O11458.45633100
9651457

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H30O11/c1-11(28-12(2)22)18(30-14(4)24)9-16(29-13(3)23)7-8-17-21(31-15(5)25)19(27-6)10-20(26)32-17/h7-8,11,16-19,21H,9-10H2,1-6H3/b8-7-/t11-,16+,17-,18+,19+,21+/m0/s1
C21H30O11458.45633200
9794249

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H30O11/c1-11(2)7-21(29,20(27)28)8-15(23)30-10-12-3-5-13(6-4-12)31-19-18(26)17(25)16(24)14(9-22)32-19/h3-6,11,14,16-19,22,24-26,29H,7-10H2,1-2H3,(H,27,28)/t14-,16-,17+,18-,19-,21-/m1/s1
C21H30O11458.45632100
10145708

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C21H30O11/c1-3-4-10-5-6-12(11(22)7-10)31-21-19(28)17(26)15(24)13(32-21)8-29-20-18(27)16(25)14(23)9(2)30-20/h3,5-7,9,13-28H,1,4,8H2,2H3/t9-,13-,14+,15-,16-,17+,18-,19-,20-,21-/m1/s1
C21H30O11458.45632200
58829876

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C21H30O11/c1-3-4-10-5-6-12(13(7-10)28-2)31-21-19(27)17(25)16(24)14(32-21)9-30-20-18(26)15(23)11(22)8-29-20/h3,5-7,11,14-27H,1,4,8-9H2,2H3/t11-,14-,15+,16-,17+,18-,19-,20+,21-/m1/s1
C21H30O11458.45632200
4476391

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C21H30O11/c1-3-4-10-5-6-12(13(7-10)28-2)31-21-19(27)17(25)16(24)14(32-21)9-30-20-18(26)15(23)11(22)8-29-20/h3,5-7,11,14-27H,1,4,8-9H2,2H3/t11-,14-,15-,16-,17-,18-,19-,20+,21-/m1/s1
C21H30O11458.45632200
4954282
InChI=1/C8H6O4.C6H14O2.C4H2O3.C3H8O2/c9-7(10)5-2-1-3-6(4-5)8(11)12;7-5-3-1-2-4-6-8;5-3-1-2-4(6)7-3;1-3(5)2-4/h1-4H,(H,9,10)(H,11,12);7-8H,1-6H2;1-2H;3-5H,2H2,1H3
C21H30O11458.45632200
8727225

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H30O11/c1-11(22)27-10-17-18(29-12(2)23)19(30-13(3)24)20(31-14(4)25)21(32-17)28-9-15-7-5-6-8-16(15)26/h15,17-21H,5-10H2,1-4H3/t15-,17+,18+,19-,20+,21+/m0/s1
C21H30O11458.45632100
9103845

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H30O11/c1-9(22)29-8-20-16(30-10(2)23)12(25)7-19(6,28)21(20)15(27)13(18(4,5)32-21)14(26)17(20)31-11(3)24/h12-13,15-17,25,27-28H,7-8H2,1-6H3/t12-,13+,15+,16-,17+,19-,20-,21-/m0/s1
C21H30O11458.45632100
9213012

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H30O11/c1-11(2-3-12-4-6-13(23)7-5-12)31-19-17(26)16(25)15(24)14(32-19)8-29-20-18(27)21(28,9-22)10-30-20/h4-7,11,14-15,17-20,22-24,26-28H,2-3,8-10H2,1H3/t11-,14+,15+,17+,18-,19+,20+,21+/m0/s1
C21H30O11458.45632100
9266897

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C21H30O11/c1-2-3-4-5-6-7-13(23)8-9-29-19-17(26)16(25)15(24)14(32-19)10-30-20-18(27)21(28,11-22)12-31-20/h2-3,13-20,22-28H,8-12H2,1H3/b3-2+/t13-,14+,15+,16-,17+,18-,19+,20+,21+/m0/s1
C21H30O11458.45632100
9320055

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C21H30O11/c1-2-13(8-6-4-3-5-7-9-22)31-19-17(26)16(25)15(24)14(32-19)10-29-20-18(27)21(28,11-23)12-30-20/h5,7,13-20,22-28H,2,9-12H2,1H3/b7-5+/t13?,14-,15-,16+,17-,18+,19-,20-,21-/m1/s1
C21H30O11458.45632100
9320056

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C21H30O11/c1-28-12-6-4-11(5-7-12)3-2-8-29-21-19(27)17(25)16(24)14(32-21)10-31-20-18(26)15(23)13(22)9-30-20/h2-7,13-27H,8-10H2,1H3/b3-2+/t13-,14+,15-,16+,17-,18+,19+,20-,21+/m0/s1
C21H30O11458.45632100
9640123

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C21H30O11/c1-10(6-13(22)23)4-5-21(29)19(2)7-11(8-20(21,3)32-18(19)28)30-9-12-14(24)15(25)16(26)17(27)31-12/h4-6,11-12,14-17,24-27,29H,7-9H2,1-3H3,(H,22,23)/b5-4+,10-6-/t11-,12+,14+,15-,16+,17+,19-,20-,21-/m0/s1
C21H30O11458.45632100
123

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