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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
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Found 27 results

Search term: XSEGWEUVSZRCBC (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
58987

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C19H28O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h9,12-14,16-17,21-22H,3-8,10H2,1-2H3/t12-,13-,14-,16+,17-,18+,19-/m0/s1
C19H28O3304.423850104880
10337030

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C19H28O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h9,12-14,16-17,21-22H,3-8,10H2,1-2H3/t12-,13-,14-,16-,17-,18+,19-/m0/s1
C19H28O3304.4238212800
193449

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C19H28O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h9,12-14,16-17,21-22H,3-8,10H2,1-2H3
C19H28O3304.423810700
23936376

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C19H28O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h9,12-14,16-17,21-22H,3-8,10H2,1-2H3/t12-,13-,14-,16+,17-,18+,19-/m0/s1/i4D2,17D
C19H25D3O3307.44236900
17346799

4 of 7 defined stereocentres - 4/7 defined
InChI=1/C19H28O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h9,12-14,16-17,21-22H,3-8,10H2,1-2H3/t12?,13?,14?,16-,17+,18-,19+/m1/s1
C19H28O3304.42385400
58782838

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C19H28O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h9,12-14,16-17,21-22H,3-8,10H2,1-2H3/t12-,13-,14-,16-,17-,18+,19-/m0/s1/i4D2,17D
C19H25D3O3307.44232600
58835911

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C19H28O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h9,12-14,16-17,21-22H,3-8,10H2,1-2H3/t12-,13-,14-,16?,17?,18+,19-/m0/s1
C19H28O3304.42382100
62668111

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C19H28O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h9,12-14,16-17,21-22H,3-8,10H2,1-2H3/t12-,13-,14+,16+,17+,18+,19-/m1/s1
C19H28O3304.42382200
78430641

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C19H28O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h9,12-14,16-17,21-22H,3-8,10H2,1-2H3/t12-,13-,14-,16+,17-,18+,19-/m1/s1
C19H28O3304.42381100
78430801

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C19H28O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h9,12-14,16-17,21-22H,3-8,10H2,1-2H3/t12-,13-,14-,16+,17-,18+,19+/m0/s1
C19H28O3304.42381100
107448227

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C19H28O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h9,12-14,16-17,21-22H,3-8,10H2,1-2H3/t12-,13+,14+,16-,17+,18-,19+/m1/s1/i4D2,7D,17D/t7?,12-,13+,14+,16-,17+,18-,19+
C19H24D4O3308.44851200
107448544

6 of 7 defined stereocentres - 6/7 defined

Non-standard isotope
InChI=1/C19H28O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h9,12-14,16-17,21-22H,3-8,10H2,1-2H3/t12?,13-,14-,16+,17-,18+,19-/m0/s1/i4D2,10D2,16D,17D
C19H22D6O3310.46081100
110806697

3 of 7 defined stereocentres - 3/7 defined

Non-standard isotope
InChI=1/C19H28O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h9,12-14,16-17,21-22H,3-8,10H2,1-2H3/t12?,13?,14?,16-,17?,18-,19+/m1/s1/i4D2,5D2,9D,16D,17D
C19H21D7O3311.4671100
111310832

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C19H28O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h9,12-14,16-17,21-22H,3-8,10H2,1-2H3/t12-,13+,14+,16-,17+,18-,19+/m0/s1/i4D2,7D,17D/t7?,12-,13+,14+,16-,17+,18-,19+
C19H24D4O3308.44851100
114812626

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C19H28O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h9,12-14,16-17,21-22H,3-8,10H2,1-2H3/t12-,13+,14+,16-,17-,18-,19-/m0/s1
C19H28O3304.42381100
129178240

6 of 7 defined stereocentres - 6/7 defined

Non-standard isotope
InChI=1/C19H28O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h9,12-14,16-17,21-22H,3-8,10H2,1-2H3/t12-,13-,14-,16+,17?,18+,19-/m0/s1/i4D2,5D2,9D,16D,17D
C19H21D7O3311.4671100
60498386

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C19H28O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h9,12-14,16-17,21-22H,3-8,10H2,1-2H3/t12-,13-,14-,16+,17?,18+,19-/m0/s1
C19H28O3304.42381100
62377960

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C19H28O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h9,12-14,16-17,21-22H,3-8,10H2,1-2H3/t12-,13-,14+,16+,17-,18-,19+/m0/s1
C19H28O3304.42381100
12

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