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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 13 results

Search term: PQKHESYTSKMWFP (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4470557

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C25H30N2O6/c1-32-20(30)7-6-19(29)26-16-8-9-25(31)18-12-15-4-5-17(28)22-21(15)24(25,23(16)33-22)10-11-27(18)13-14-2-3-14/h4-7,14,16,18,23,28,31H,2-3,8-13H2,1H3,(H,26,29)/b7-6+/t16-,18-,23+,24+,25-/m1/s1
C25H30N2O6454.5155211900
5022911

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C25H30N2O6/c1-32-20(30)7-6-19(29)26-16-8-9-25(31)18-12-15-4-5-17(28)22-21(15)24(25,23(16)33-22)10-11-27(18)13-14-2-3-14/h4-7,14,16,18,23,28,31H,2-3,8-13H2,1H3,(H,26,29)/b7-6+/t16-,18?,23+,24+,25-/m1/s1
C25H30N2O6454.51553200
5037039

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C25H30N2O6/c1-32-20(30)7-6-19(29)26-16-8-9-25(31)18-12-15-4-5-17(28)22-21(15)24(25,23(16)33-22)10-11-27(18)13-14-2-3-14/h4-7,14,16,18,23,28,31H,2-3,8-13H2,1H3,(H,26,29)/b7-6-/t16-,18-,23-,24+,25-/m1/s1
C25H30N2O6454.51553300
10645304

Double-bond stereo

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C25H30N2O6/c1-32-20(30)7-6-19(29)26-16-8-9-25(31)18-12-15-4-5-17(28)22-21(15)24(25,23(16)33-22)10-11-27(18)13-14-2-3-14/h4-7,14,16,18,23,28,31H,2-3,8-13H2,1H3,(H,26,29)/b7-6+
C25H30N2O6454.5155344800
17347107

Double-bond stereo

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C25H30N2O6/c1-32-20(30)7-6-19(29)26-16-8-9-25(31)18-12-15-4-5-17(28)22-21(15)24(25,23(16)33-22)10-11-27(18)13-14-2-3-14/h4-7,14,16,18,23,28,31H,2-3,8-13H2,1H3,(H,26,29)/b7-6+/t16-,18?,23+,24?,25-/m1/s1
C25H30N2O6454.51552200
20144135

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C25H30N2O6/c1-32-20(30)7-6-19(29)26-16-8-9-25(31)18-12-15-4-5-17(28)22-21(15)24(25,23(16)33-22)10-11-27(18)13-14-2-3-14/h4-7,14,16,18,23,28,31H,2-3,8-13H2,1H3,(H,26,29)/b7-6+/t16-,18+,23-,24-,25+/m0/s1
C25H30N2O6454.51552200
8519405

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C25H30N2O6/c1-32-20(30)7-6-19(29)26-16-8-9-25(31)18-12-15-4-5-17(28)22-21(15)24(25,23(16)33-22)10-11-27(18)13-14-2-3-14/h4-7,14,16,18,23,28,31H,2-3,8-13H2,1H3,(H,26,29)/b7-6+/t16-,18?,23-,24-,25+/m0/s1
C25H30N2O6454.51552100
4944040

Double-bond stereo

2 of 5 defined stereocentres - 2/5 defined
InChI=1/C25H30N2O6/c1-32-20(30)7-6-19(29)26-16-8-9-25(31)18-12-15-4-5-17(28)22-21(15)24(25,23(16)33-22)10-11-27(18)13-14-2-3-14/h4-7,14,16,18,23,28,31H,2-3,8-13H2,1H3,(H,26,29)/b7-6+/t16-,18?,23+,24?,25?/m0/s1
C25H30N2O6454.51552200
4311056

Double-bond stereo

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C25H30N2O6/c1-32-20(30)7-6-19(29)26-16-8-9-25(31)18-12-15-4-5-17(28)22-21(15)24(25,23(16)33-22)10-11-27(18)13-14-2-3-14/h4-7,14,16,18,23,28,31H,2-3,8-13H2,1H3,(H,26,29)
C25H30N2O6454.51552100
23119112

Double-bond stereo

2 of 5 defined stereocentres - 2/5 defined
InChI=1/C25H30N2O6/c1-32-20(30)7-6-19(29)26-16-8-9-25(31)18-12-15-4-5-17(28)22-21(15)24(25,23(16)33-22)10-11-27(18)13-14-2-3-14/h4-7,14,16,18,23,28,31H,2-3,8-13H2,1H3,(H,26,29)/b7-6-/t16-,18?,23-,24?,25?/m0/s1
C25H30N2O6454.51551100
23119154

Double-bond stereo

2 of 5 defined stereocentres - 2/5 defined
InChI=1/C25H30N2O6/c1-32-20(30)7-6-19(29)26-16-8-9-25(31)18-12-15-4-5-17(28)22-21(15)24(25,23(16)33-22)10-11-27(18)13-14-2-3-14/h4-7,14,16,18,23,28,31H,2-3,8-13H2,1H3,(H,26,29)/b7-6-/t16-,18?,23+,24?,25?/m1/s1
C25H30N2O6454.51551100
23124105

Double-bond stereo

1 of 5 defined stereocentres - 1/5 defined
InChI=1/C25H30N2O6/c1-32-20(30)7-6-19(29)26-16-8-9-25(31)18-12-15-4-5-17(28)22-21(15)24(25,23(16)33-22)10-11-27(18)13-14-2-3-14/h4-7,14,16,18,23,28,31H,2-3,8-13H2,1H3,(H,26,29)/b7-6-/t16-,18?,23?,24?,25?/m1/s1
C25H30N2O6454.51551100
34964211

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C25H30N2O6/c1-32-20(30)7-6-19(29)26-16-8-9-25(31)18-12-15-4-5-17(28)22-21(15)24(25,23(16)33-22)10-11-27(18)13-14-2-3-14/h4-7,14,16,18,23,28,31H,2-3,8-13H2,1H3,(H,26,29)/b7-6+/t16?,18-,23+,24+,25+/m1/s1
C25H30N2O6454.51551100

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