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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 14 results

Search term: TYPMTMPLTVSOBU (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
20119971

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H24N2O3/c1-4-12-11-23(2)17-9-15-13-7-5-6-8-16(13)22-20(15)18(24)10-14(12)19(17)21(25)26-3/h4-8,14,17,19,22H,9-11H2,1-3H3/b12-4-/t14-,17-,19-/m0/s1
C21H24N2O3352.42696600
4524441

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C21H24N2O3/c1-4-12-11-23(2)17-9-15-13-7-5-6-8-16(13)22-20(15)18(24)10-14(12)19(17)21(25)26-3/h4-8,14,17,19,22H,9-11H2,1-3H3/b12-4+
C21H24N2O3352.426951700
4941435

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C21H24N2O3/c1-4-12-11-23(2)17-9-15-13-7-5-6-8-16(13)22-20(15)18(24)10-14(12)19(17)21(25)26-3/h4-8,14,17,19,22H,9-11H2,1-3H3/b12-4-/t14-,17-,19?/m0/s1
C21H24N2O3352.42695500
4474637

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C21H24N2O3/c1-4-12-11-23(2)17-9-15-13-7-5-6-8-16(13)22-20(15)18(24)10-14(12)19(17)21(25)26-3/h4-8,14,17,19,22H,9-11H2,1-3H3/b12-4-
C21H24N2O3352.42694300
9806437

Double-bond stereo

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C21H24N2O3/c1-4-12-11-23(2)17-9-15-13-7-5-6-8-16(13)22-20(15)18(24)10-14(12)19(17)21(25)26-3/h4-8,14,17,19,22H,9-11H2,1-3H3/b12-4-/t14?,17?,19-/m1/s1
C21H24N2O3352.42692100
58133357

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H24N2O3/c1-4-12-11-23(2)17-9-15-13-7-5-6-8-16(13)22-20(15)18(24)10-14(12)19(17)21(25)26-3/h4-8,14,17,19,22H,9-11H2,1-3H3/b12-4-/t14-,17+,19-/m1/s1
C21H24N2O3352.42692200
283592

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C21H24N2O3/c1-4-12-11-23(2)17-9-15-13-7-5-6-8-16(13)22-20(15)18(24)10-14(12)19(17)21(25)26-3/h4-8,14,17,19,22H,9-11H2,1-3H3
C21H24N2O3352.42692100
4444763

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C21H24N2O3/c1-4-12-11-23(2)17-9-15-13-7-5-6-8-16(13)22-20(15)18(24)10-14(12)19(17)21(25)26-3/h4-8,14,17,19,22H,9-11H2,1-3H3/b12-4-/t14-,17+,19?/m0/s1
C21H24N2O3352.426862200
26376422

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H24N2O3/c1-4-12-11-23(2)17-9-15-13-7-5-6-8-16(13)22-20(15)18(24)10-14(12)19(17)21(25)26-3/h4-8,14,17,19,22H,9-11H2,1-3H3/b12-4-/t14-,17+,19+/m1/s1
C21H24N2O3352.42692200
30791187

Double-bond stereo

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C21H24N2O3/c1-4-12-11-23(2)17-9-15-13-7-5-6-8-16(13)22-20(15)18(24)10-14(12)19(17)21(25)26-3/h4-8,14,17,19,22H,9-11H2,1-3H3/b12-4-/t14?,17-,19?/m1/s1
C21H24N2O3352.42691100
34894435

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H24N2O3/c1-4-12-11-23(2)17-9-15-13-7-5-6-8-16(13)22-20(15)18(24)10-14(12)19(17)21(25)26-3/h4-8,14,17,19,22H,9-11H2,1-3H3/t14-,17+,19+/m1/s1
C21H24N2O3352.42691100
7827821

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H24N2O3/c1-4-12-11-23(2)17-9-15-13-7-5-6-8-16(13)22-20(15)18(24)10-14(12)19(17)21(25)26-3/h4-8,14,17,19,22H,9-11H2,1-3H3/b12-4-/t14-,17+,19-/m0/s1
C21H24N2O3352.42691100
67038980

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H24N2O3/c1-4-12-11-23(2)17-9-15-13-7-5-6-8-16(13)22-20(15)18(24)10-14(12)19(17)21(25)26-3/h4-8,14,17,19,22H,9-11H2,1-3H3/b12-4+/t14-,17-,19+/m0/s1
C21H24N2O3352.42691600
82965655

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H24N2O3/c1-4-12-11-23(2)17-9-15-13-7-5-6-8-16(13)22-20(15)18(24)10-14(12)19(17)21(25)26-3/h4-8,14,17,19,22H,9-11H2,1-3H3/t14-,17-,19-/m1/s1
C21H24N2O3352.42691100

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