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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 19 results

Search term: PBLNJFVQMUMOJY (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
7851252

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C15H19N3O7/c1-8(20)16-11-13(22)12(21)10(7-19)24-14(11)18-25-15(23)17-9-5-3-2-4-6-9/h2-6,10-13,19,21-22H,7H2,1H3,(H,16,20)(H,17,23)/b18-14-/t10-,11-,12-,13-/m1/s1
C15H19N3O7353.3273434500
4589142

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C15H19N3O7/c1-8(20)16-11-13(22)12(21)10(7-19)24-14(11)18-25-15(23)17-9-5-3-2-4-6-9/h2-6,10-13,19,21-22H,7H2,1H3,(H,16,20)(H,17,23)/b18-14+/t10-,11-,12-,13-/m1/s1
C15H19N3O7353.327311600
57549989

Double-bond stereo

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C15H19N3O7/c1-8(20)16-11-13(22)12(21)10(7-19)24-14(11)18-25-15(23)17-9-5-3-2-4-6-9/h2-6,10-13,19,21-22H,7H2,1H3,(H,16,20)(H,17,23)/b18-14-/t10?,11?,12-,13+/m0/s1
C15H19N3O7353.327391100
34892570

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C15H19N3O7/c1-8(20)16-11-13(22)12(21)10(7-19)24-14(11)18-25-15(23)17-9-5-3-2-4-6-9/h2-6,10-13,19,21-22H,7H2,1H3,(H,16,20)(H,17,23)/t10-,11-,12-,13-/m1/s1
C15H19N3O7353.32736400
71116523

Double-bond stereo

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C15H19N3O7/c1-8(20)16-11-13(22)12(21)10(7-19)24-14(11)18-25-15(23)17-9-5-3-2-4-6-9/h2-6,10-13,19,21-22H,7H2,1H3,(H,16,20)(H,17,23)/b18-14+/t10?,11?,12-,13+/m0/s1
C15H19N3O7353.32734300
35034173

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C15H19N3O7/c1-8(20)16-11-13(22)12(21)10(7-19)24-14(11)18-25-15(23)17-9-5-3-2-4-6-9/h2-6,10-13,19,21-22H,7H2,1H3,(H,16,20)(H,17,23)/b18-14-/t10-,11-,12+,13-/m1/s1
C15H19N3O7353.32733400
57546301

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C15H19N3O7/c1-8(20)16-11-13(22)12(21)10(7-19)24-14(11)18-25-15(23)17-9-5-3-2-4-6-9/h2-6,10-13,19,21-22H,7H2,1H3,(H,16,20)(H,17,23)/b18-14-/t10-,11-,12-,13-/m1/s1/i2D,3D,4D,5D,6D
C15H14D5N3O7358.35813300
29315062

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C15H19N3O7/c1-8(20)16-11-13(22)12(21)10(7-19)24-14(11)18-25-15(23)17-9-5-3-2-4-6-9/h2-6,10-13,19,21-22H,7H2,1H3,(H,16,20)(H,17,23)/b18-14-/t10-,11+,12+,13+/m0/s1
C15H19N3O7353.32733100
62315297

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C15H19N3O7/c1-8(20)16-11-13(22)12(21)10(7-19)24-14(11)18-25-15(23)17-9-5-3-2-4-6-9/h2-6,10-13,19,21-22H,7H2,1H3,(H,16,20)(H,17,23)/b18-14+/t10-,11+,12+,13+/m0/s1
C15H19N3O7353.32732200
62315524

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C15H19N3O7/c1-8(20)16-11-13(22)12(21)10(7-19)24-14(11)18-25-15(23)17-9-5-3-2-4-6-9/h2-6,10-13,19,21-22H,7H2,1H3,(H,16,20)(H,17,23)/b18-14+/t10-,11+,12+,13-/m0/s1
C15H19N3O7353.32732200
68892849

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C15H19N3O7/c1-8(20)16-11-13(22)12(21)10(7-19)24-14(11)18-25-15(23)17-9-5-3-2-4-6-9/h2-6,10-13,19,21-22H,7H2,1H3,(H,16,20)(H,17,23)/t10-,11+,12-,13-/m1/s1
C15H19N3O7353.32732100
68027301

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C15H19N3O7/c1-8(20)16-11-13(22)12(21)10(7-19)24-14(11)18-25-15(23)17-9-5-3-2-4-6-9/h2-6,10-13,19,21-22H,7H2,1H3,(H,16,20)(H,17,23)/b18-14-/t10-,11?,12-,13-/m1/s1
C15H19N3O7353.32731100
71116528

Double-bond stereo

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C15H19N3O7/c1-8(20)16-11-13(22)12(21)10(7-19)24-14(11)18-25-15(23)17-9-5-3-2-4-6-9/h2-6,10-13,19,21-22H,7H2,1H3,(H,16,20)(H,17,23)/b18-14-/t10?,11?,12-,13+/m1/s1
C15H19N3O7353.32731100
111310715

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C15H19N3O7/c1-8(20)16-11-13(22)12(21)10(7-19)24-14(11)18-25-15(23)17-9-5-3-2-4-6-9/h2-6,10-13,19,21-22H,7H2,1H3,(H,16,20)(H,17,23)/b18-14-/t10-,11-,12-,13-/m0/s1/i2D,3D,4D,5D,6D
C15H14D5N3O7358.35811100
13173198

Double-bond stereo

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C15H19N3O7/c1-8(20)16-11-13(22)12(21)10(7-19)24-14(11)18-25-15(23)17-9-5-3-2-4-6-9/h2-6,10-13,19,21-22H,7H2,1H3,(H,16,20)(H,17,23)/t10?,11?,12-,13-/m1/s1
C15H19N3O7353.32731100
57643573

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C15H19N3O7/c1-8(20)16-11-13(22)12(21)10(7-19)24-14(11)18-25-15(23)17-9-5-3-2-4-6-9/h2-6,10-13,19,21-22H,7H2,1H3,(H,16,20)(H,17,23)/b18-14-/t10-,11-,12-,13+/m0/s1
C15H19N3O7353.32731100

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