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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 21 results

Search term: AJIPIJNNOJSSQC (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
25245

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C18H24O4/c1-18-7-6-12-11-5-3-10(19)8-9(11)2-4-13(12)14(18)15(20)16(21)17(18)22/h3,5,8,12-17,19-22H,2,4,6-7H2,1H3/t12-,13-,14-,15-,16-,17+,18+/m1/s1
C18H24O4304.38084766911
4955931

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C18H24O4/c1-18-7-6-12-11-5-3-10(19)8-9(11)2-4-13(12)14(18)15(20)16(21)17(18)22/h3,5,8,12-17,19-22H,2,4,6-7H2,1H3/t12-,13-,14-,15+,16+,17+,18+/m1/s1
C18H24O4304.38087700
77498885

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C18H24O4/c1-18-7-6-12-11-5-3-10(19)8-9(11)2-4-13(12)14(18)15(20)16(21)17(18)22/h3,5,8,12-17,19-22H,2,4,6-7H2,1H3/t12-,13-,14-,15-,16-,17+,18+/m1/s1/i2D2,3D,8D
C18H20D4O4308.40544600
8170789

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C18H24O4/c1-18-7-6-12-11-5-3-10(19)8-9(11)2-4-13(12)14(18)15(20)16(21)17(18)22/h3,5,8,12-17,19-22H,2,4,6-7H2,1H3
C18H24O4304.380845700
58783488

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C18H24O4/c1-18-7-6-12-11-5-3-10(19)8-9(11)2-4-13(12)14(18)15(20)16(21)17(18)22/h3,5,8,12-17,19-22H,2,4,6-7H2,1H3/t12-,13-,14-,15-,16-,17+,18+/m1/s1/i3D,8D,17D
C18H21D3O4307.39922200
58783690

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C18H24O4/c1-18-7-6-12-11-5-3-10(19)8-9(11)2-4-13(12)14(18)15(20)16(21)17(18)22/h3,5,8,12-17,19-22H,2,4,6-7H2,1H3/t12-,13-,14-,15-,16-,17+,18+/m1/s1/i2D2,4D2
C18H20D4O4308.40542200
62491896

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C18H24O4/c1-18-7-6-12-11-5-3-10(19)8-9(11)2-4-13(12)14(18)15(20)16(21)17(18)22/h3,5,8,12-17,19-22H,2,4,6-7H2,1H3/t12-,13-,14+,15+,16+,17+,18+/m1/s1
C18H24O4304.38082200
62579002

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C18H24O4/c1-18-7-6-12-11-5-3-10(19)8-9(11)2-4-13(12)14(18)15(20)16(21)17(18)22/h3,5,8,12-17,19-22H,2,4,6-7H2,1H3/t12-,13+,14+,15+,16+,17+,18-/m1/s1
C18H24O4304.38082200
62639517

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C18H24O4/c1-18-7-6-12-11-5-3-10(19)8-9(11)2-4-13(12)14(18)15(20)16(21)17(18)22/h3,5,8,12-17,19-22H,2,4,6-7H2,1H3/t12-,13+,14-,15+,16+,17-,18-/m0/s1
C18H24O4304.38082200
62639518

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C18H24O4/c1-18-7-6-12-11-5-3-10(19)8-9(11)2-4-13(12)14(18)15(20)16(21)17(18)22/h3,5,8,12-17,19-22H,2,4,6-7H2,1H3/t12-,13-,14+,15-,16+,17+,18+/m1/s1
C18H24O4304.38082200
62639574

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C18H24O4/c1-18-7-6-12-11-5-3-10(19)8-9(11)2-4-13(12)14(18)15(20)16(21)17(18)22/h3,5,8,12-17,19-22H,2,4,6-7H2,1H3/t12-,13+,14-,15+,16+,17+,18-/m1/s1
C18H24O4304.38082200
62639576

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C18H24O4/c1-18-7-6-12-11-5-3-10(19)8-9(11)2-4-13(12)14(18)15(20)16(21)17(18)22/h3,5,8,12-17,19-22H,2,4,6-7H2,1H3/t12-,13-,14+,15-,16-,17+,18+/m1/s1
C18H24O4304.38082200
8033337

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C18H24O4/c1-18-7-6-12-11-5-3-10(19)8-9(11)2-4-13(12)14(18)15(20)16(21)17(18)22/h3,5,8,12-17,19-22H,2,4,6-7H2,1H3/t12-,13-,14-,15-,16+,17+,18+/m1/s1
C18H24O4304.38082100
78075971

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C18H24O4/c1-18-7-6-12-11-5-3-10(19)8-9(11)2-4-13(12)14(18)15(20)16(21)17(18)22/h3,5,8,12-17,19-22H,2,4,6-7H2,1H3/t12-,13-,14-,15-,16-,17+,18+/m0/s1/i2D2,4D2
C18H20D4O4308.40541100
78076598

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C18H24O4/c1-18-7-6-12-11-5-3-10(19)8-9(11)2-4-13(12)14(18)15(20)16(21)17(18)22/h3,5,8,12-17,19-22H,2,4,6-7H2,1H3/t12-,13-,14-,15-,16-,17+,18+/m0/s1
C18H24O4304.38081100
111313502

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C18H24O4/c1-18-7-6-12-11-5-3-10(19)8-9(11)2-4-13(12)14(18)15(20)16(21)17(18)22/h3,5,8,12-17,19-22H,2,4,6-7H2,1H3/t12-,13-,14-,15-,16-,17+,18+/m0/s1/i3D,8D,17D
C18H21D3O4307.39921100
128925175

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C18H24O4/c1-18-7-6-12-11-5-3-10(19)8-9(11)2-4-13(12)14(18)15(20)16(21)17(18)22/h3,5,8,12-17,19-22H,2,4,6-7H2,1H3/t12-,13+,14-,15+,16+,17+,18-/m0/s1
C18H24O4304.38081100
129134998

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C18H24O4/c1-18-7-6-12-11-5-3-10(19)8-9(11)2-4-13(12)14(18)15(20)16(21)17(18)22/h3,5,8,12-17,19-22H,2,4,6-7H2,1H3/t12-,13-,14+,15-,16-,17-,18+/m1/s1
C18H24O4304.38081300
58816105

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C18H24O4/c1-18-7-6-12-11-5-3-10(19)8-9(11)2-4-13(12)14(18)15(20)16(21)17(18)22/h3,5,8,12-17,19-22H,2,4,6-7H2,1H3/t12-,13-,14-,15-,16-,17+,18?/m1/s1
C18H24O4304.38081100
12

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