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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 36 results

Search term: AUIGUMTVSBTOKZ (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
52083285

Double-bond stereo

1 of 5 defined stereocentres - 1/5 defined
InChI=1/C28H36O8S2/c1-25(2)21-9-11-27(25,15-37(31,32)33)23(29)19(21)13-17-5-7-18(8-6-17)14-20-22-10-12-28(24(20)30,26(22,3)4)16-38(34,35)36/h5-8,13-14,21-23,29H,9-12,15-16H2,1-4H3,(H,31,32,33)(H,34,35,36)/b19-13+,20-14+/t21?,22?,23-,27?,28?/m1/s1
C28H36O8S2564.71062200
52083286

Double-bond stereo

1 of 5 defined stereocentres - 1/5 defined
InChI=1/C28H36O8S2/c1-25(2)21-9-11-27(25,15-37(31,32)33)23(29)19(21)13-17-5-7-18(8-6-17)14-20-22-10-12-28(24(20)30,26(22,3)4)16-38(34,35)36/h5-8,13-14,21-23,29H,9-12,15-16H2,1-4H3,(H,31,32,33)(H,34,35,36)/b19-13+,20-14+/t21?,22?,23-,27?,28?/m0/s1
C28H36O8S2564.71061100
34989483

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C28H36O8S2/c1-25(2)21-9-11-27(25,15-37(31,32)33)23(29)19(21)13-17-5-7-18(8-6-17)14-20-22-10-12-28(24(20)30,26(22,3)4)16-38(34,35)36/h5-8,13-14,21-23,29H,9-12,15-16H2,1-4H3,(H,31,32,33)(H,34,35,36)/b19-13+,20-14+/t21-,22+,23-,27-,28+/m0/s1
C28H36O8S2564.71061100
34989484

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C28H36O8S2/c1-25(2)21-9-11-27(25,15-37(31,32)33)23(29)19(21)13-17-5-7-18(8-6-17)14-20-22-10-12-28(24(20)30,26(22,3)4)16-38(34,35)36/h5-8,13-14,21-23,29H,9-12,15-16H2,1-4H3,(H,31,32,33)(H,34,35,36)/b19-13+,20-14+/t21-,22+,23-,27+,28+/m0/s1
C28H36O8S2564.71061100
34993399

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C28H36O8S2/c1-25(2)21-9-11-27(25,15-37(31,32)33)23(29)19(21)13-17-5-7-18(8-6-17)14-20-22-10-12-28(24(20)30,26(22,3)4)16-38(34,35)36/h5-8,13-14,21-23,29H,9-12,15-16H2,1-4H3,(H,31,32,33)(H,34,35,36)/b19-13+,20-14+/t21-,22-,23-,27-,28-/m1/s1
C28H36O8S2564.71061100
34993400

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C28H36O8S2/c1-25(2)21-9-11-27(25,15-37(31,32)33)23(29)19(21)13-17-5-7-18(8-6-17)14-20-22-10-12-28(24(20)30,26(22,3)4)16-38(34,35)36/h5-8,13-14,21-23,29H,9-12,15-16H2,1-4H3,(H,31,32,33)(H,34,35,36)/b19-13+,20-14+/t21-,22+,23-,27+,28+/m1/s1
C28H36O8S2564.71061100
34993401

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C28H36O8S2/c1-25(2)21-9-11-27(25,15-37(31,32)33)23(29)19(21)13-17-5-7-18(8-6-17)14-20-22-10-12-28(24(20)30,26(22,3)4)16-38(34,35)36/h5-8,13-14,21-23,29H,9-12,15-16H2,1-4H3,(H,31,32,33)(H,34,35,36)/b19-13+,20-14+/t21-,22+,23+,27+,28-/m0/s1
C28H36O8S2564.71061100
34993402

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C28H36O8S2/c1-25(2)21-9-11-27(25,15-37(31,32)33)23(29)19(21)13-17-5-7-18(8-6-17)14-20-22-10-12-28(24(20)30,26(22,3)4)16-38(34,35)36/h5-8,13-14,21-23,29H,9-12,15-16H2,1-4H3,(H,31,32,33)(H,34,35,36)/b19-13+,20-14+/t21-,22+,23-,27+,28-/m1/s1
C28H36O8S2564.71061100
34993403

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C28H36O8S2/c1-25(2)21-9-11-27(25,15-37(31,32)33)23(29)19(21)13-17-5-7-18(8-6-17)14-20-22-10-12-28(24(20)30,26(22,3)4)16-38(34,35)36/h5-8,13-14,21-23,29H,9-12,15-16H2,1-4H3,(H,31,32,33)(H,34,35,36)/b19-13+,20-14+/t21-,22-,23+,27+,28+/m0/s1
C28H36O8S2564.71061100
34993404

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C28H36O8S2/c1-25(2)21-9-11-27(25,15-37(31,32)33)23(29)19(21)13-17-5-7-18(8-6-17)14-20-22-10-12-28(24(20)30,26(22,3)4)16-38(34,35)36/h5-8,13-14,21-23,29H,9-12,15-16H2,1-4H3,(H,31,32,33)(H,34,35,36)/b19-13+,20-14+/t21-,22-,23-,27+,28+/m1/s1
C28H36O8S2564.71061100
34993405

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C28H36O8S2/c1-25(2)21-9-11-27(25,15-37(31,32)33)23(29)19(21)13-17-5-7-18(8-6-17)14-20-22-10-12-28(24(20)30,26(22,3)4)16-38(34,35)36/h5-8,13-14,21-23,29H,9-12,15-16H2,1-4H3,(H,31,32,33)(H,34,35,36)/b19-13+,20-14+/t21-,22-,23+,27+,28-/m0/s1
C28H36O8S2564.71061100
34993406

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C28H36O8S2/c1-25(2)21-9-11-27(25,15-37(31,32)33)23(29)19(21)13-17-5-7-18(8-6-17)14-20-22-10-12-28(24(20)30,26(22,3)4)16-38(34,35)36/h5-8,13-14,21-23,29H,9-12,15-16H2,1-4H3,(H,31,32,33)(H,34,35,36)/b19-13+,20-14+/t21-,22-,23-,27+,28-/m1/s1
C28H36O8S2564.71061100
34993407

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C28H36O8S2/c1-25(2)21-9-11-27(25,15-37(31,32)33)23(29)19(21)13-17-5-7-18(8-6-17)14-20-22-10-12-28(24(20)30,26(22,3)4)16-38(34,35)36/h5-8,13-14,21-23,29H,9-12,15-16H2,1-4H3,(H,31,32,33)(H,34,35,36)/b19-13+,20-14+/t21-,22-,23+,27-,28-/m0/s1
C28H36O8S2564.71061100
34993408

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C28H36O8S2/c1-25(2)21-9-11-27(25,15-37(31,32)33)23(29)19(21)13-17-5-7-18(8-6-17)14-20-22-10-12-28(24(20)30,26(22,3)4)16-38(34,35)36/h5-8,13-14,21-23,29H,9-12,15-16H2,1-4H3,(H,31,32,33)(H,34,35,36)/b19-13+,20-14+/t21-,22-,23-,27-,28+/m1/s1
C28H36O8S2564.71061100
34993409

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C28H36O8S2/c1-25(2)21-9-11-27(25,15-37(31,32)33)23(29)19(21)13-17-5-7-18(8-6-17)14-20-22-10-12-28(24(20)30,26(22,3)4)16-38(34,35)36/h5-8,13-14,21-23,29H,9-12,15-16H2,1-4H3,(H,31,32,33)(H,34,35,36)/b19-13+,20-14+/t21-,22-,23+,27-,28+/m0/s1
C28H36O8S2564.71061100
34993410

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C28H36O8S2/c1-25(2)21-9-11-27(25,15-37(31,32)33)23(29)19(21)13-17-5-7-18(8-6-17)14-20-22-10-12-28(24(20)30,26(22,3)4)16-38(34,35)36/h5-8,13-14,21-23,29H,9-12,15-16H2,1-4H3,(H,31,32,33)(H,34,35,36)/b19-13+,20-14+/t21-,22+,23-,27-,28-/m1/s1
C28H36O8S2564.71061100
34993411

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C28H36O8S2/c1-25(2)21-9-11-27(25,15-37(31,32)33)23(29)19(21)13-17-5-7-18(8-6-17)14-20-22-10-12-28(24(20)30,26(22,3)4)16-38(34,35)36/h5-8,13-14,21-23,29H,9-12,15-16H2,1-4H3,(H,31,32,33)(H,34,35,36)/b19-13+,20-14+/t21-,22+,23+,27-,28-/m0/s1
C28H36O8S2564.71061100
34993412

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C28H36O8S2/c1-25(2)21-9-11-27(25,15-37(31,32)33)23(29)19(21)13-17-5-7-18(8-6-17)14-20-22-10-12-28(24(20)30,26(22,3)4)16-38(34,35)36/h5-8,13-14,21-23,29H,9-12,15-16H2,1-4H3,(H,31,32,33)(H,34,35,36)/b19-13+,20-14+/t21-,22+,23-,27-,28+/m1/s1
C28H36O8S2564.71061100
34993413

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C28H36O8S2/c1-25(2)21-9-11-27(25,15-37(31,32)33)23(29)19(21)13-17-5-7-18(8-6-17)14-20-22-10-12-28(24(20)30,26(22,3)4)16-38(34,35)36/h5-8,13-14,21-23,29H,9-12,15-16H2,1-4H3,(H,31,32,33)(H,34,35,36)/b19-13+,20-14+/t21-,22+,23+,27-,28+/m0/s1
C28H36O8S2564.71061100
34993414

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C28H36O8S2/c1-25(2)21-9-11-27(25,15-37(31,32)33)23(29)19(21)13-17-5-7-18(8-6-17)14-20-22-10-12-28(24(20)30,26(22,3)4)16-38(34,35)36/h5-8,13-14,21-23,29H,9-12,15-16H2,1-4H3,(H,31,32,33)(H,34,35,36)/b19-13+,20-14+/t21-,22+,23+,27+,28+/m0/s1
C28H36O8S2564.71061100
12

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