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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 9 results

Search term: SOEGVMSNJOCVHT (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24599455

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H26FN3O5S/c1-13(2)20-18(10-9-17-11-16(27)12-19(28)31-17)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)32(4,29)30/h5-10,13,16-17,27H,11-12H2,1-4H3/b10-9+/t16-,17-/m1/s1
C22H26FN3O5S463.5223392900
9377149

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C22H26FN3O5S/c1-13(2)20-18(10-9-17-11-16(27)12-19(28)31-17)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)32(4,29)30/h5-10,13,16-17,27H,11-12H2,1-4H3/b10-9+
C22H26FN3O5S463.5223181800
29788050

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H26FN3O5S/c1-13(2)20-18(10-9-17-11-16(27)12-19(28)31-17)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)32(4,29)30/h5-10,13,16-17,27H,11-12H2,1-4H3/b10-9+/t16-,17-/m0/s1
C22H26FN3O5S463.5223131300
77499239

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C22H26FN3O5S/c1-13(2)20-18(10-9-17-11-16(27)12-19(28)31-17)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)32(4,29)30/h5-10,13,16-17,27H,11-12H2,1-4H3/b10-9+/t16-,17+/m1/s1/i1D3,2D3
C22H20D6FN3O5S469.55934500
77499245

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H26FN3O5S/c1-13(2)20-18(10-9-17-11-16(27)12-19(28)31-17)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)32(4,29)30/h5-10,13,16-17,27H,11-12H2,1-4H3/b10-9-/t16-,17-/m1/s1
C22H26FN3O5S463.52234700
31045083

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H26FN3O5S/c1-13(2)20-18(10-9-17-11-16(27)12-19(28)31-17)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)32(4,29)30/h5-10,13,16-17,27H,11-12H2,1-4H3/t16-,17-/m1/s1
C22H26FN3O5S463.52233200
31044815

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H26FN3O5S/c1-13(2)20-18(10-9-17-11-16(27)12-19(28)31-17)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)32(4,29)30/h5-10,13,16-17,27H,11-12H2,1-4H3/t16-,17-/m0/s1
C22H26FN3O5S463.52232100
9779825

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C22H26FN3O5S/c1-13(2)20-18(10-9-17-11-16(27)12-19(28)31-17)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)32(4,29)30/h5-10,13,16-17,27H,11-12H2,1-4H3/b10-9+/t16-,17?/m1/s1
C22H26FN3O5S463.52232100
58783575

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C22H26FN3O5S/c1-13(2)20-18(10-9-17-11-16(27)12-19(28)31-17)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)32(4,29)30/h5-10,13,16-17,27H,11-12H2,1-4H3/b10-9+/t16-,17-/m1/s1/i1D3,2D3
C22H20D6FN3O5S469.55931100

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