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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: UQZVCDCIMBLVNR (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4471583

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C23H31NO7S/c1-32(29,30)24-23(28)12-8-3-2-7-11-19-20(22(27)15-21(19)26)14-13-17(25)16-31-18-9-5-4-6-10-18/h2,4-7,9-10,13-14,17,19-20,22,25,27H,3,8,11-12,15-16H2,1H3,(H,24,28)/b7-2-,14-13+/t17-,19-,20-,22-/m1/s1
C23H31NO7S465.5597567300
5293200

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C23H31NO7S/c1-32(29,30)24-23(28)12-8-3-2-7-11-19-20(22(27)15-21(19)26)14-13-17(25)16-31-18-9-5-4-6-10-18/h2,4-7,9-10,13-14,17,19-20,22,25,27H,3,8,11-12,15-16H2,1H3,(H,24,28)/b7-2-,14-13+/t17-,19-,20?,22-/m1/s1
C23H31NO7S465.559745400
29342149

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C23H31NO7S/c1-32(29,30)24-23(28)12-8-3-2-7-11-19-20(22(27)15-21(19)26)14-13-17(25)16-31-18-9-5-4-6-10-18/h2,4-7,9-10,13-14,17,19-20,22,25,27H,3,8,11-12,15-16H2,1H3,(H,24,28)/b7-2-,14-13?/t17-,19-,20-,22-/m1/s1
C23H31NO7S465.55975200
29787047

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C23H31NO7S/c1-32(29,30)24-23(28)12-8-3-2-7-11-19-20(22(27)15-21(19)26)14-13-17(25)16-31-18-9-5-4-6-10-18/h2,4-7,9-10,13-14,17,19-20,22,25,27H,3,8,11-12,15-16H2,1H3,(H,24,28)/b7-2-,14-13+/t17-,19+,20+,22+/m0/s1
C23H31NO7S465.55975600
57618322

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C23H31NO7S/c1-32(29,30)24-23(28)12-8-3-2-7-11-19-20(22(27)15-21(19)26)14-13-17(25)16-31-18-9-5-4-6-10-18/h2,4-7,9-10,13-14,17,19-20,22,25,27H,3,8,11-12,15-16H2,1H3,(H,24,28)/b7-2+,14-13u/t17-,19-,20-,22-/m1/s1
C23H31NO7S465.55975300
95640920

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C23H31NO7S/c1-32(29,30)24-23(28)12-8-3-2-7-11-19-20(22(27)15-21(19)26)14-13-17(25)16-31-18-9-5-4-6-10-18/h2,4-7,9-10,13-14,17,19-20,22,25,27H,3,8,11-12,15-16H2,1H3,(H,24,28)/b7-2+,14-13u
C23H31NO7S465.55975500
78431551

Double-bond stereo

1 of 4 defined stereocentres - 1/4 defined
InChI=1/C23H31NO7S/c1-32(29,30)24-23(28)12-8-3-2-7-11-19-20(22(27)15-21(19)26)14-13-17(25)16-31-18-9-5-4-6-10-18/h2,4-7,9-10,13-14,17,19-20,22,25,27H,3,8,11-12,15-16H2,1H3,(H,24,28)/b7-2+,14-13+/t17?,19?,20-,22?/m1/s1
C23H31NO7S465.55974400
76713551

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C23H31NO7S/c1-32(29,30)24-23(28)12-8-3-2-7-11-19-20(22(27)15-21(19)26)14-13-17(25)16-31-18-9-5-4-6-10-18/h2,4-7,9-10,13-14,17,19-20,22,25,27H,3,8,11-12,15-16H2,1H3,(H,24,28)/b7-2-,14-13+
C23H31NO7S465.55972200
20481184

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C23H31NO7S/c1-32(29,30)24-23(28)12-8-3-2-7-11-19-20(22(27)15-21(19)26)14-13-17(25)16-31-18-9-5-4-6-10-18/h2,4-7,9-10,13-14,17,19-20,22,25,27H,3,8,11-12,15-16H2,1H3,(H,24,28)
C23H31NO7S465.55972200
21161881

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C23H31NO7S/c1-32(29,30)24-23(28)12-8-3-2-7-11-19-20(22(27)15-21(19)26)14-13-17(25)16-31-18-9-5-4-6-10-18/h2,4-7,9-10,13-14,17,19-20,22,25,27H,3,8,11-12,15-16H2,1H3,(H,24,28)/t17-,19-,20-,22-/m1/s1
C23H31NO7S465.55972200
4946178

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C23H31NO7S/c1-32(29,30)24-23(28)12-8-3-2-7-11-19-20(22(27)15-21(19)26)14-13-17(25)16-31-18-9-5-4-6-10-18/h2,4-7,9-10,13-14,17,19-20,22,25,27H,3,8,11-12,15-16H2,1H3,(H,24,28)/b7-2-,14-13+/t17?,19-,20-,22-/m1/s1
C23H31NO7S465.55972200
78430901

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C23H31NO7S/c1-32(29,30)24-23(28)12-8-3-2-7-11-19-20(22(27)15-21(19)26)14-13-17(25)16-31-18-9-5-4-6-10-18/h2,4-7,9-10,13-14,17,19-20,22,25,27H,3,8,11-12,15-16H2,1H3,(H,24,28)/b7-2u,14-13+/t17-,19-,20-,22-/m1/s1
C23H31NO7S465.55971100
95640918

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C23H31NO7S/c1-32(29,30)24-23(28)12-8-3-2-7-11-19-20(22(27)15-21(19)26)14-13-17(25)16-31-18-9-5-4-6-10-18/h2,4-7,9-10,13-14,17,19-20,22,25,27H,3,8,11-12,15-16H2,1H3,(H,24,28)/b7-2-,14-13-
C23H31NO7S465.55971100
95640919

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C23H31NO7S/c1-32(29,30)24-23(28)12-8-3-2-7-11-19-20(22(27)15-21(19)26)14-13-17(25)16-31-18-9-5-4-6-10-18/h2,4-7,9-10,13-14,17,19-20,22,25,27H,3,8,11-12,15-16H2,1H3,(H,24,28)/b7-2+,14-13-
C23H31NO7S465.55971100
128927970

Double-bond stereo

1 of 4 defined stereocentres - 1/4 defined
InChI=1/C23H31NO7S/c1-32(29,30)24-23(28)12-8-3-2-7-11-19-20(22(27)15-21(19)26)14-13-17(25)16-31-18-9-5-4-6-10-18/h2,4-7,9-10,13-14,17,19-20,22,25,27H,3,8,11-12,15-16H2,1H3,(H,24,28)/b7-2+,14-13u/t17?,19?,20-,22?/m0/s1
C23H31NO7S465.55971100

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