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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: STFFIQHUWFISBB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
35308421

Double-bond stereo

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C28H38O6/c1-9-14(2)24(30)33-22-15(3)12-27-16(4)10-19-20(25(19,5)6)18(21(27)29)11-17-13-32-26(7,8)34-23(17)28(22,27)31/h9,11-12,16,18-20,22-23,31H,10,13H2,1-8H3/b14-9-/t16-,18+,19-,20+,22+,23-,27+,28?/m1/s1
C28H38O6470.5977121500
35143278

Double-bond stereo

4 of 8 defined stereocentres - 4/8 defined
InChI=1/C28H38O6/c1-9-14(2)24(30)33-22-15(3)12-27-16(4)10-19-20(25(19,5)6)18(21(27)29)11-17-13-32-26(7,8)34-23(17)28(22,27)31/h9,11-12,16,18-20,22-23,31H,10,13H2,1-8H3/b14-9-/t16-,18?,19?,20?,22+,23-,27?,28-/m1/s1
C28H38O6470.59779900
48060892

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C28H38O6/c1-9-14(2)24(30)33-22-15(3)12-27-16(4)10-19-20(25(19,5)6)18(21(27)29)11-17-13-32-26(7,8)34-23(17)28(22,27)31/h9,11-12,16,18-20,22-23,31H,10,13H2,1-8H3/b14-9-/t16-,18+,19-,20+,22+,23-,27+,28-/m1/s1
C28H38O6470.59776600
59760316

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C28H38O6/c1-9-14(2)24(30)33-22-15(3)12-27-16(4)10-19-20(25(19,5)6)18(21(27)29)11-17-13-32-26(7,8)34-23(17)28(22,27)31/h9,11-12,16,18-20,22-23,31H,10,13H2,1-8H3/b14-9-/t16-,18-,19-,20+,22+,23-,27+,28-/m1/s1
C28H38O6470.59776700
82827678

Double-bond stereo

4 of 8 defined stereocentres - 4/8 defined
InChI=1/C28H38O6/c1-9-14(2)24(30)33-22-15(3)12-27-16(4)10-19-20(25(19,5)6)18(21(27)29)11-17-13-32-26(7,8)34-23(17)28(22,27)31/h9,11-12,16,18-20,22-23,31H,10,13H2,1-8H3/b14-9-/t16-,18?,19?,20?,22+,23-,27?,28-/m0/s1
C28H38O6470.59772200
114545048

Double-bond stereo

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C28H38O6/c1-9-14(2)24(30)33-22-15(3)12-27-16(4)10-19-20(25(19,5)6)18(21(27)29)11-17-13-32-26(7,8)34-23(17)28(22,27)31/h9,11-12,16,18-20,22-23,31H,10,13H2,1-8H3/b14-9-/t16-,18?,19-,20+,22+,23-,27?,28-/m1/s1
C28H38O6470.59772200
114813707

Double-bond stereo

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C28H38O6/c1-9-14(2)24(30)33-22-15(3)12-27-16(4)10-19-20(25(19,5)6)18(21(27)29)11-17-13-32-26(7,8)34-23(17)28(22,27)31/h9,11-12,16,18-20,22-23,31H,10,13H2,1-8H3/t16-,18+,19+,20-,22-,23+,27-,28?/m0/s1
C28H38O6470.59771100
128946755

Double-bond stereo

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C28H38O6/c1-9-14(2)24(30)33-22-15(3)12-27-16(4)10-19-20(25(19,5)6)18(21(27)29)11-17-13-32-26(7,8)34-23(17)28(22,27)31/h9,11-12,16,18-20,22-23,31H,10,13H2,1-8H3/t16-,18+,19-,20+,22+,23-,27+,28?/m1/s1
C28H38O6470.59771100
129310447

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C28H38O6/c1-9-14(2)24(30)33-22-15(3)12-27-16(4)10-19-20(25(19,5)6)18(21(27)29)11-17-13-32-26(7,8)34-23(17)28(22,27)31/h9,11-12,16,18-20,22-23,31H,10,13H2,1-8H3/t16-,18-,19-,20+,22+,23-,27+,28-/m1/s1
C28H38O6470.59771100
84393921

Double-bond stereo

4 of 8 defined stereocentres - 4/8 defined
InChI=1/C28H38O6/c1-9-14(2)24(30)33-22-15(3)12-27-16(4)10-19-20(25(19,5)6)18(21(27)29)11-17-13-32-26(7,8)34-23(17)28(22,27)31/h9,11-12,16,18-20,22-23,31H,10,13H2,1-8H3/b14-9-/t16?,18-,19?,20?,22+,23+,27-,28?/m0/s1
C28H38O6470.59771100
101936488

Double-bond stereo

4 of 8 defined stereocentres - 4/8 defined
InChI=1/C28H38O6/c1-9-14(2)24(30)33-22-15(3)12-27-16(4)10-19-20(25(19,5)6)18(21(27)29)11-17-13-32-26(7,8)34-23(17)28(22,27)31/h9,11-12,16,18-20,22-23,31H,10,13H2,1-8H3/b14-9+/t16-,18?,19?,20?,22+,23-,27?,28-/m1/s1
C28H38O6470.59771200
114391568

Double-bond stereo

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C28H38O6/c1-9-14(2)24(30)33-22-15(3)12-27-16(4)10-19-20(25(19,5)6)18(21(27)29)11-17-13-32-26(7,8)34-23(17)28(22,27)31/h9,11-12,16,18-20,22-23,31H,10,13H2,1-8H3/t16-,18-,19+,20-,22+,23+,27-,28?/m0/s1
C28H38O6470.59771100
74158906

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C28H38O6/c1-9-14(2)24(30)33-22-15(3)12-27-16(4)10-19-20(25(19,5)6)18(21(27)29)11-17-13-32-26(7,8)34-23(17)28(22,27)31/h9,11-12,16,18-20,22-23,31H,10,13H2,1-8H3/b14-9+/t16-,18+,19-,20+,22+,23-,27+,28-/m1/s1
C28H38O6470.59771100
58790001

Double-bond stereo

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C28H38O6/c1-9-14(2)24(30)33-22-15(3)12-27-16(4)10-19-20(25(19,5)6)18(21(27)29)11-17-13-32-26(7,8)34-23(17)28(22,27)31/h9,11-12,16,18-20,22-23,31H,10,13H2,1-8H3/b14-9-/t16-,18+,19-,20+,22?,23-,27+,28?/m1/s1
C28H38O6470.59771100

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