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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 112 results

Search term: C16H20O9 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
80043

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C16H20O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2-3,6-7,10-13,15-20H,1,4-5H2/t7-,10-,11-,12+,13-,15+,16+/m1/s1
C16H20O9356.324690142868
29365118

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C16H20O9/c1-24-13-6-9(2-4-10(13)18)3-5-14(21)25-8-12(20)16(23)15(22)11(19)7-17/h2-7,11-12,15-16,18-20,22-23H,8H2,1H3/b5-3+/t11-,12+,15+,16+/m0/s1
C16H20O9356.3246271800
26336946

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C16H20O9/c1-23-10-6-8(2-4-9(10)18)3-5-12(19)25-16-15(22)14(21)13(20)11(7-17)24-16/h2-6,11,13-18,20-22H,7H2,1H3/b5-3+/t11-,13-,14+,15-,16+/m1/s1
C16H20O9356.3246242400
9535184

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C16H20O9/c1-21-7-4-6-9(13(23-3)12(7)22-2)14-15(25-16(6)20)11(19)10(18)8(5-17)24-14/h4,8,10-11,14-15,17-19H,5H2,1-3H3/t8-,10-,11+,14+,15-/m1/s1
C16H20O9356.3246211500
10212167

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C16H20O9/c1-23-10-6-8(3-5-12(18)19)2-4-9(10)24-16-15(22)14(21)13(20)11(7-17)25-16/h2-6,11,13-17,20-22H,7H2,1H3,(H,18,19)/b5-3+/t11-,13-,14+,15-,16-/m1/s1
C16H20O9356.3246161400
10138445

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C16H20O9/c1-6-12-14(22-9(3)18)16(24-11(5)20)15(23-10(4)19)13(25-12)7-21-8(2)17/h1,12-16H,7H2,2-5H3/t12-,13+,14-,15+,16+/m0/s1
C16H20O9356.3246141200
9900511

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C16H20O9/c1-23-10-6-8(2-4-9(10)17)3-5-12(18)24-7-11-13(19)14(20)15(21)16(22)25-11/h2-6,11,13-17,19-22H,7H2,1H3/b5-3+/t11-,13-,14+,15-,16?/m1/s1
C16H20O9356.3246131000
22912826

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C16H20O9/c1-23-9-4-2-8(3-5-12(18)19)10(6-9)24-16-15(22)14(21)13(20)11(7-17)25-16/h2-6,11,13-17,20-22H,7H2,1H3,(H,18,19)/b5-3+/t11-,13-,14+,15-,16-/m1/s1
C16H20O9356.324691000
22913845

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C16H20O9/c1-23-9-4-2-8(3-5-12(18)19)10(6-9)24-16-15(22)14(21)13(20)11(7-17)25-16/h2-6,11,13-17,20-22H,7H2,1H3,(H,18,19)/b5-3-/t11-,13-,14+,15-,16-/m1/s1
C16H20O9356.32468600
268372

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C16H20O9/c1-7(17)21-5-11-12(6-22-8(2)18)14-16(24-10(4)20)15(13(11)25-14)23-9(3)19/h13-16H,5-6H2,1-4H3
C16H20O9356.32467700
9123485

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C16H20O9/c1-23-16-15(22)14(21)13(20)11(25-16)7-24-12(19)5-3-8-2-4-9(17)10(18)6-8/h2-6,11,13-18,20-22H,7H2,1H3/b5-3+/t11-,13-,14+,15-,16-/m1/s1
C16H20O9356.32466400
35294167

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H14O6.3H2O/c17-10-2-1-8-13-9-4-12(19)11(18)3-7(9)5-16(13,21)6-22-15(8)14(10)20;;;/h1-4,13,17-21H,5-6H2;3*1H2/t13-,16+;;;/m0.../s1
C16H20O9356.32466400
68026333

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C16H20O9/c1-23-10-6-8(2-4-9(10)18)3-5-12(19)25-16-15(22)14(21)13(20)11(7-17)24-16/h2-6,11,13-18,20-22H,7H2,1H3/t11-,13-,14+,15-,16+/m1/s1
C16H20O9356.32466600
72391027

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C16H20O9/c1-21-7-4-6-9(13(23-3)12(7)22-2)14-15(25-16(6)20)11(19)10(18)8(5-17)24-14/h4,8,10-11,14-15,17-19H,5H2,1-3H3
C16H20O9356.32465500
57422598

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C16H18O8.H2O/c1-7-4-12(18)23-10-5-8(2-3-9(7)10)22-16-15(21)14(20)13(19)11(6-17)24-16;/h2-5,11,13-17,19-21H,6H2,1H3;1H2/t11-,13-,14+,15-,16+;/m1./s1
C16H20O9356.32465500
62875797

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C16H20O9/c1-6-12-14(22-9(3)18)16(24-11(5)20)15(23-10(4)19)13(25-12)7-21-8(2)17/h1,12-16H,7H2,2-5H3/t12-,13-,14+,15-,16-/m1/s1
C16H20O9356.32465300
314628

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C16H20O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2-3,6-7,10-13,15-20H,1,4-5H2
C16H20O9356.324654900
7995803

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C16H20O9/c1-23-10-6-8(3-5-12(18)19)2-4-9(10)24-16-15(22)14(21)13(20)11(7-17)25-16/h2-6,11,13-17,20-22H,7H2,1H3,(H,18,19)/b5-3-/t11-,13-,14+,15-,16-/m1/s1
C16H20O9356.32465400
9397062

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C16H20O9/c1-23-12(19)3-2-8-4-9(18)6-10(5-8)24-16-15(22)14(21)13(20)11(7-17)25-16/h2-6,11,13-18,20-22H,7H2,1H3/b3-2+/t11-,13-,14+,15-,16-/m1/s1
C16H20O9356.32464300
9668949

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C16H20O9/c1-23-10-6-8(2-4-9(10)18)3-5-12(19)25-16-15(22)14(21)13(20)11(7-17)24-16/h2-6,11,13-18,20-22H,7H2,1H3/b5-3+/t11-,13-,14+,15-,16?/m1/s1
C16H20O9356.32464300
12345

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