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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 11 results

Search term: AKXCFAYOTIEFOH (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
7875223

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C26H27N3O4/c1-2-13-29-14-12-25-21-17-8-9-19(30)22(21)33-23(25)18(10-11-26(25,32)20(29)15-17)27-28-24(31)16-6-4-3-5-7-16/h2-9,20,23,30,32H,1,10-15H2,(H,28,31)/b27-18+/t20-,23+,25+,26-/m1/s1
C26H27N3O4445.5103354500
4273

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C26H27N3O4/c1-2-13-29-14-12-25-21-17-8-9-19(30)22(21)33-23(25)18(10-11-26(25,32)20(29)15-17)27-28-24(31)16-6-4-3-5-7-16/h2-9,20,23,30,32H,1,10-15H2,(H,28,31)
C26H27N3O4445.51038500
7851212

Double-bond stereo

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C26H27N3O4/c1-2-13-29-14-12-25-21-17-8-9-19(30)22(21)33-23(25)18(10-11-26(25,32)20(29)15-17)27-28-24(31)16-6-4-3-5-7-16/h2-9,20,23,30,32H,1,10-15H2,(H,28,31)/b27-18+/t20-,23-,25?,26?/m1/s1
C26H27N3O4445.51036400
23954678

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C26H27N3O4/c1-2-13-29-14-12-25-21-17-8-9-19(30)22(21)33-23(25)18(10-11-26(25,32)20(29)15-17)27-28-24(31)16-6-4-3-5-7-16/h2-9,20,23,30,32H,1,10-15H2,(H,28,31)/b27-18+/t20?,23-,25-,26+/m0/s1
C26H27N3O4445.51033200
4884370

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C26H27N3O4/c1-2-13-29-14-12-25-21-17-8-9-19(30)22(21)33-23(25)18(10-11-26(25,32)20(29)15-17)27-28-24(31)16-6-4-3-5-7-16/h2-9,20,23,30,32H,1,10-15H2,(H,28,31)/b27-18-/t20-,23+,25+,26-/m1/s1
C26H27N3O4445.51033100
7879092

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C26H27N3O4/c1-2-13-29-14-12-25-21-17-8-9-19(30)22(21)33-23(25)18(10-11-26(25,32)20(29)15-17)27-28-24(31)16-6-4-3-5-7-16/h2-9,20,23,30,32H,1,10-15H2,(H,28,31)/b27-18+/t20-,23-,25+,26-/m1/s1
C26H27N3O4445.51033300
30988616

Double-bond stereo

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C26H27N3O4/c1-2-13-29-14-12-25-21-17-8-9-19(30)22(21)33-23(25)18(10-11-26(25,32)20(29)15-17)27-28-24(31)16-6-4-3-5-7-16/h2-9,20,23,30,32H,1,10-15H2,(H,28,31)/b27-18-/t20-,23-,25?,26?/m1/s1
C26H27N3O4445.51032100
23274261

Double-bond stereo

1 of 4 defined stereocentres - 1/4 defined
InChI=1/C26H27N3O4/c1-2-13-29-14-12-25-21-17-8-9-19(30)22(21)33-23(25)18(10-11-26(25,32)20(29)15-17)27-28-24(31)16-6-4-3-5-7-16/h2-9,20,23,30,32H,1,10-15H2,(H,28,31)/b27-18+/t20?,23-,25?,26?/m1/s1
C26H27N3O4445.51032200
128924463

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C26H27N3O4/c1-2-13-29-14-12-25-21-17-8-9-19(30)22(21)33-23(25)18(10-11-26(25,32)20(29)15-17)27-28-24(31)16-6-4-3-5-7-16/h2-9,20,23,30,32H,1,10-15H2,(H,28,31)/t20-,23+,25-,26+/m0/s1
C26H27N3O4445.51031100
10645303

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C26H27N3O4/c1-2-13-29-14-12-25-21-17-8-9-19(30)22(21)33-23(25)18(10-11-26(25,32)20(29)15-17)27-28-24(31)16-6-4-3-5-7-16/h2-9,20,23,30,32H,1,10-15H2,(H,28,31)/b27-18-
C26H27N3O4445.51031300

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