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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 16 results

Search term: FOCCASNSHDSZLN (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10128231

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H28O7/c1-12-6-7-17(27-16(5)24)14(3)11-19-20(15(4)22(26)29-19)18(10-12)28-21(25)13(2)8-9-23/h6,8,11,17-20,23H,4,7,9-10H2,1-3,5H3/b12-6+,13-8+,14-11-/t17-,18+,19+,20+/m0/s1
C22H28O7404.4535131200
71060710

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H28O7/c1-12-6-7-17(27-16(5)24)14(3)11-19-20(15(4)22(26)29-19)18(10-12)28-21(25)13(2)8-9-23/h6,8,11,17-20,23H,4,7,9-10H2,1-3,5H3/b12-6+,13-8+,14-11-/t17-,18-,19-,20-/m1/s1
C22H28O7404.45355500
72390898

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C22H28O7/c1-12-6-7-17(27-16(5)24)14(3)11-19-20(15(4)22(26)29-19)18(10-12)28-21(25)13(2)8-9-23/h6,8,11,17-20,23H,4,7,9-10H2,1-3,5H3/b12-6-,13-8u,14-11+
C22H28O7404.45354700
62811856

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H28O7/c1-12-6-7-17(27-16(5)24)14(3)11-19-20(15(4)22(26)29-19)18(10-12)28-21(25)13(2)8-9-23/h6,8,11,17-20,23H,4,7,9-10H2,1-3,5H3/b12-6-,13-8+,14-11-/t17-,18-,19-,20-/m1/s1
C22H28O7404.45353200
68025131

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H28O7/c1-12-6-7-17(27-16(5)24)14(3)11-19-20(15(4)22(26)29-19)18(10-12)28-21(25)13(2)8-9-23/h6,8,11,17-20,23H,4,7,9-10H2,1-3,5H3/b12-6-,13-8+,14-11+/t17-,18-,19-,20-/m1/s1
C22H28O7404.45353300
58149582

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H28O7/c1-12-6-7-17(27-16(5)24)14(3)11-19-20(15(4)22(26)29-19)18(10-12)28-21(25)13(2)8-9-23/h6,8,11,17-20,23H,4,7,9-10H2,1-3,5H3/b12-6-,13-8+,14-11+/t17-,18+,19+,20+/m0/s1
C22H28O7404.45352200
62838946

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H28O7/c1-12-6-7-17(27-16(5)24)14(3)11-19-20(15(4)22(26)29-19)18(10-12)28-21(25)13(2)8-9-23/h6,8,11,17-20,23H,4,7,9-10H2,1-3,5H3/b12-6-,13-8+,14-11-/t17-,18+,19+,20+/m0/s1
C22H28O7404.45352100
2708686

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C22H28O7/c1-12-6-7-17(27-16(5)24)14(3)11-19-20(15(4)22(26)29-19)18(10-12)28-21(25)13(2)8-9-23/h6,8,11,17-20,23H,4,7,9-10H2,1-3,5H3
C22H28O7404.453522100
4476699

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C22H28O7/c1-12-6-7-17(27-16(5)24)14(3)11-19-20(15(4)22(26)29-19)18(10-12)28-21(25)13(2)8-9-23/h6,8,11,17-20,23H,4,7,9-10H2,1-3,5H3/b12-6+,13-8+,14-11+/t17-,18+,19?,20+/m0/s1
C22H28O7404.45352200
95533418

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C22H28O7/c1-12-6-7-17(27-16(5)24)14(3)11-19-20(15(4)22(26)29-19)18(10-12)28-21(25)13(2)8-9-23/h6,8,11,17-20,23H,4,7,9-10H2,1-3,5H3/b12-6+,13-8+,14-11-
C22H28O7404.45352200
114794250

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C22H28O7/c1-12-6-7-17(27-16(5)24)14(3)11-19-20(15(4)22(26)29-19)18(10-12)28-21(25)13(2)8-9-23/h6,8,11,17-20,23H,4,7,9-10H2,1-3,5H3/b12-6-,13-8+,14-11-
C22H28O7404.45352200
120331291

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C22H28O7/c1-12-6-7-17(27-16(5)24)14(3)11-19-20(15(4)22(26)29-19)18(10-12)28-21(25)13(2)8-9-23/h6,8,11,17-20,23H,4,7,9-10H2,1-3,5H3/b12-6-,13-8u,14-11-
C22H28O7404.45352200
113608573

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H28O7/c1-12-6-7-17(27-16(5)24)14(3)11-19-20(15(4)22(26)29-19)18(10-12)28-21(25)13(2)8-9-23/h6,8,11,17-20,23H,4,7,9-10H2,1-3,5H3/b12-6-,13-8u,14-11-/t17-,18-,19-,20+/m1/s1
C22H28O7404.45351100
114553100

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H28O7/c1-12-6-7-17(27-16(5)24)14(3)11-19-20(15(4)22(26)29-19)18(10-12)28-21(25)13(2)8-9-23/h6,8,11,17-20,23H,4,7,9-10H2,1-3,5H3/b12-6-,13-8+,14-11-/t17-,18+,19+,20+/m1/s1
C22H28O7404.45351100
57464755

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H28O7/c1-12-6-7-17(27-16(5)24)14(3)11-19-20(15(4)22(26)29-19)18(10-12)28-21(25)13(2)8-9-23/h6,8,11,17-20,23H,4,7,9-10H2,1-3,5H3/b12-6-,13-8-,14-11-/t17-,18+,19+,20+/m0/s1
C22H28O7404.45351100
65321689

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H28O7/c1-12-6-7-17(27-16(5)24)14(3)11-19-20(15(4)22(26)29-19)18(10-12)28-21(25)13(2)8-9-23/h6,8,11,17-20,23H,4,7,9-10H2,1-3,5H3/b12-6+,13-8+,14-11+/t17-,18+,19+,20+/m0/s1
C22H28O7404.45351100

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