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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 27 results

Search term: LAJXCUNOQSHRJO (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4572350

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C28H33NO7/c1-16-9-8-12-19-23-27(4,35-23)17(2)21-20(15-18-10-6-5-7-11-18)29-24(31)28(19,21)36-25(32)34-14-13-26(3,33)22(16)30/h5-8,10-14,16-17,19-21,23,33H,9,15H2,1-4H3,(H,29,31)/b12-8+,14-13+/t16-,17-,19-,20-,21-,23-,26+,27+,28+/m0/s1
C28H33NO7495.5641446600
35466792

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C28H33NO7/c1-16-9-8-12-19-23-27(4,35-23)17(2)21-20(15-18-10-6-5-7-11-18)29-24(31)28(19,21)36-25(32)34-14-13-26(3,33)22(16)30/h5-8,10-14,16-17,19-21,23,33H,9,15H2,1-4H3,(H,29,31)/b12-8-,14-13-/t16-,17-,19-,20-,21-,23-,26+,27+,28+/m0/s1
C28H33NO7495.5641151000
58190315

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C28H33NO7/c1-16-9-8-12-19-23-27(4,35-23)17(2)21-20(15-18-10-6-5-7-11-18)29-24(31)28(19,21)36-25(32)34-14-13-26(3,33)22(16)30/h5-8,10-14,16-17,19-21,23,33H,9,15H2,1-4H3,(H,29,31)/b12-8+,14-13+/t16-,17-,19-,20-,21-,23-,26+,27+,28?/m0/s1
C28H33NO7495.56419700
4510129

Double-bond stereo

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C28H33NO7/c1-16-9-8-12-19-23-27(4,35-23)17(2)21-20(15-18-10-6-5-7-11-18)29-24(31)28(19,21)36-25(32)34-14-13-26(3,33)22(16)30/h5-8,10-14,16-17,19-21,23,33H,9,15H2,1-4H3,(H,29,31)/b12-8-,14-13+
C28H33NO7495.56417700
29786148

Double-bond stereo

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C28H33NO7/c1-16-9-8-12-19-23-27(4,35-23)17(2)21-20(15-18-10-6-5-7-11-18)29-24(31)28(19,21)36-25(32)34-14-13-26(3,33)22(16)30/h5-8,10-14,16-17,19-21,23,33H,9,15H2,1-4H3,(H,29,31)/b12-8-,14-13-
C28H33NO7495.56416200
77481657

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C28H33NO7/c1-16-9-8-12-19-23-27(4,35-23)17(2)21-20(15-18-10-6-5-7-11-18)29-24(31)28(19,21)36-25(32)34-14-13-26(3,33)22(16)30/h5-8,10-14,16-17,19-21,23,33H,9,15H2,1-4H3,(H,29,31)/b12-8-,14-13-/t16-,17-,19-,20-,21-,23?,26+,27+,28+/m0/s1
C28H33NO7495.56415400
4895550

Double-bond stereo

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C28H33NO7/c1-16-9-8-12-19-23-27(4,35-23)17(2)21-20(15-18-10-6-5-7-11-18)29-24(31)28(19,21)36-25(32)34-14-13-26(3,33)22(16)30/h5-8,10-14,16-17,19-21,23,33H,9,15H2,1-4H3,(H,29,31)/b12-8+,14-13+
C28H33NO7495.56415500
5143335

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C28H33NO7/c1-16-9-8-12-19-23-27(4,35-23)17(2)21-20(15-18-10-6-5-7-11-18)29-24(31)28(19,21)36-25(32)34-14-13-26(3,33)22(16)30/h5-8,10-14,16-17,19-21,23,33H,9,15H2,1-4H3,(H,29,31)/t16-,17-,19-,20-,21-,23-,26+,27+,28+/m0/s1
C28H33NO7495.56413200
2817

Double-bond stereo

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C28H33NO7/c1-16-9-8-12-19-23-27(4,35-23)17(2)21-20(15-18-10-6-5-7-11-18)29-24(31)28(19,21)36-25(32)34-14-13-26(3,33)22(16)30/h5-8,10-14,16-17,19-21,23,33H,9,15H2,1-4H3,(H,29,31)
C28H33NO7495.56413200
8656322

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C28H33NO7/c1-16-9-8-12-19-23-27(4,35-23)17(2)21-20(15-18-10-6-5-7-11-18)29-24(31)28(19,21)36-25(32)34-14-13-26(3,33)22(16)30/h5-8,10-14,16-17,19-21,23,33H,9,15H2,1-4H3,(H,29,31)/b12-8+,14-13+/t16-,17?,19-,20-,21-,23-,26+,27+,28+/m0/s1
C28H33NO7495.56412100
26373919

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C28H33NO7/c1-16-9-8-12-19-23-27(4,35-23)17(2)21-20(15-18-10-6-5-7-11-18)29-24(31)28(19,21)36-25(32)34-14-13-26(3,33)22(16)30/h5-8,10-14,16-17,19-21,23,33H,9,15H2,1-4H3,(H,29,31)/b12-8+,14-13+/t16-,17-,19+,20-,21-,23-,26-,27+,28+/m0/s1
C28H33NO7495.56412200
29341460

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C28H33NO7/c1-16-9-8-12-19-23-27(4,35-23)17(2)21-20(15-18-10-6-5-7-11-18)29-24(31)28(19,21)36-25(32)34-14-13-26(3,33)22(16)30/h5-8,10-14,16-17,19-21,23,33H,9,15H2,1-4H3,(H,29,31)/b12-8-,14-13-/t16-,17-,19-,20-,21-,23-,26+,27+,28?/m0/s1
C28H33NO7495.56412100
60498502

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C28H33NO7/c1-16-9-8-12-19-23-27(4,35-23)17(2)21-20(15-18-10-6-5-7-11-18)29-24(31)28(19,21)36-25(32)34-14-13-26(3,33)22(16)30/h5-8,10-14,16-17,19-21,23,33H,9,15H2,1-4H3,(H,29,31)/b12-8+,14-13+/t16-,17-,19-,20-,21-,23?,26+,27+,28+/m0/s1
C28H33NO7495.56412200
64859964

Double-bond stereo

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C28H33NO7/c1-16-9-8-12-19-23-27(4,35-23)17(2)21-20(15-18-10-6-5-7-11-18)29-24(31)28(19,21)36-25(32)34-14-13-26(3,33)22(16)30/h5-8,10-14,16-17,19-21,23,33H,9,15H2,1-4H3,(H,29,31)/b12-8-,14-13-/t16-,17-,19-,20?,21-,23-,26+,27+,28?/m0/s1
C28H33NO7495.56412200
73983300

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C28H33NO7/c1-16-9-8-12-19-23-27(4,35-23)17(2)21-20(15-18-10-6-5-7-11-18)29-24(31)28(19,21)36-25(32)34-14-13-26(3,33)22(16)30/h5-8,10-14,16-17,19-21,23,33H,9,15H2,1-4H3,(H,29,31)/b12-8-,14-13-/t16-,17-,19-,20?,21-,23-,26+,27+,28+/m0/s1
C28H33NO7495.56412200
111307011

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C28H33NO7/c1-16-9-8-12-19-23-27(4,35-23)17(2)21-20(15-18-10-6-5-7-11-18)29-24(31)28(19,21)36-25(32)34-14-13-26(3,33)22(16)30/h5-8,10-14,16-17,19-21,23,33H,9,15H2,1-4H3,(H,29,31)/b12-8-,14-13-/t16-,17-,19-,20-,21-,23-,26+,27+,28+/m1/s1
C28H33NO7495.56411100
114100882

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C28H33NO7/c1-16-9-8-12-19-23-27(4,35-23)17(2)21-20(15-18-10-6-5-7-11-18)29-24(31)28(19,21)36-25(32)34-14-13-26(3,33)22(16)30/h5-8,10-14,16-17,19-21,23,33H,9,15H2,1-4H3,(H,29,31)/b12-8+,14-13+/t16-,17-,19-,20-,21-,23+,26+,27+,28+/m1/s1
C28H33NO7495.56411100
114393956

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C28H33NO7/c1-16-9-8-12-19-23-27(4,35-23)17(2)21-20(15-18-10-6-5-7-11-18)29-24(31)28(19,21)36-25(32)34-14-13-26(3,33)22(16)30/h5-8,10-14,16-17,19-21,23,33H,9,15H2,1-4H3,(H,29,31)/b12-8-,14-13-/t16-,17-,19+,20-,21+,23?,26+,27-,28+/m0/s1
C28H33NO7495.56411100
114813937

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C28H33NO7/c1-16-9-8-12-19-23-27(4,35-23)17(2)21-20(15-18-10-6-5-7-11-18)29-24(31)28(19,21)36-25(32)34-14-13-26(3,33)22(16)30/h5-8,10-14,16-17,19-21,23,33H,9,15H2,1-4H3,(H,29,31)/b12-8-,14-13-/t16-,17-,19-,20+,21-,23-,26+,27+,28-/m0/s1
C28H33NO7495.56411100
128926376

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C28H33NO7/c1-16-9-8-12-19-23-27(4,35-23)17(2)21-20(15-18-10-6-5-7-11-18)29-24(31)28(19,21)36-25(32)34-14-13-26(3,33)22(16)30/h5-8,10-14,16-17,19-21,23,33H,9,15H2,1-4H3,(H,29,31)/b12-8-,14-13-/t16-,17-,19-,20-,21+,23?,26+,27+,28+/m0/s1
C28H33NO7495.56411100
12

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