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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 39 results

Search term: DNXHEGUUPJUMQT (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5660


4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1
C18H22O2270.3661164535389221132
678

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3
C18H22O2270.36613028500
9912128

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1/i3D,7D2,10D
C18H18D4O2274.3907253000
5142810

1 of 4 defined stereocentres - 1/4 defined
InChI=1/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14?,15?,16?,18-/m0/s1
C18H22O2270.3661221700
32820490

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1/i3D,10D
C18H20D2O2272.3784161900
19071963

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1/i7D2
C18H20D2O2272.3784141800
7826161

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15+,16+,18+/m1/s1
C18H22O2270.3661111507
35466882

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1/i3+1,10+1,12+1
C1513C3H22O2273.344101000
10043868

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15+,16-,18-/m0/s1
C18H22O2270.36618500
580862

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m0/s1
C18H22O2270.366181000
21467539

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14?,15-,16?,18+/m1/s1
C18H22O2270.36618400
5415633

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16-,18+/m1/s1
C18H22O2270.36617400
4642435

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15?,16+,18?/m1/s1
C18H22O2270.36616600
5036155

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16-,18-/m0/s1
C18H22O2270.36614300
10205635

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18-/m1/s1
C18H22O2270.36614304
10043709

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16-,18+/m0/s1
C18H22O2270.36613200
78315475

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15+,16+,18-/m0/s1
C18H22O2270.366131000
809219

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15+,16+,18-/m1/s1
C18H22O2270.36613200
9623614

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1/i3D,7D2,10D/hD
C18H17D5O2275.39692200
95600783

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1/i1+1,6+1,7+1,16+1,17+1,18+1
C1213C6H22O2276.3222600
12

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