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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 24 results

Search term: DQHNAVOVODVIMG (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10482095

Charge

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C19H22NO4S2.BrH/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15;/h3-8,11-13,16-17,22H,9-10H2,1-2H3;1H/q+1;/p-1/t11-,12-,13+,16-,17+;
C19H22BrNO4S2472.416382601880
54817

Charge

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C19H22NO4S2.BrH/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15;/h3-8,11-13,16-17,22H,9-10H2,1-2H3;1H/q+1;/p-1
C19H22BrNO4S2472.416283325000
21781893

Charge

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C19H22NO4S2.BrH/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15;/h3-8,11-13,16-17,22H,9-10H2,1-2H3;1H/q+1;/p-1/t11?,12-,13+,16-,17+;
C19H22BrNO4S2472.4163243900
2343226

Charge

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C19H22NO4S2.BrH/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15;/h3-8,11-13,16-17,22H,9-10H2,1-2H3;1H/q+1;/p-1/t11?,12-,13+,16+,17-;
C19H22BrNO4S2472.4162811600
23976312

Charge

0 of 5 defined stereocentres - 0/5 defined

Non-standard isotope
InChI=1/C19H22NO4S2.BrH/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15;/h3-8,11-13,16-17,22H,9-10H2,1-2H3;1H/q+1;/p-1/i1D3;
C19H19D3BrNO4S2475.434811500
7980603

Charge

2 of 5 defined stereocentres - 2/5 defined
InChI=1/C19H22NO4S2.BrH/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15;/h3-8,11-13,16-17,22H,9-10H2,1-2H3;1H/q+1;/p-1/t11?,12?,13?,16-,17+;
C19H22BrNO4S2472.41637500
27471727

Charge

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C19H22NO4S2.BrH/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15;/h3-8,11-13,16-17,22H,9-10H2,1-2H3;1H/q+1;/p-1/t11-,12-,13-,16-,17+;/m0./s1
C19H22BrNO4S2472.41636300
68004062

Charge

5 of 5 defined stereocentres - 5/5 defined

Non-standard isotope
InChI=1/C19H22NO4S2.BrH/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15;/h3-8,11-13,16-17,22H,9-10H2,1-2H3;1H/q+1;/p-1/t11-,12-,13+,16-,17+;/i1D3;/t11-,12-,13+,16-,17+,20?;
C19H19D3BrNO4S2475.43486500
60497975

Charge

5 of 5 defined stereocentres - 5/5 defined

Non-standard isotope
InChI=1/C19H22NO4S2.BrH/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15;/h3-8,11-13,16-17,22H,9-10H2,1-2H3;1H/q+1;/p-1/t11-,12-,13+,16-,17+;/i1D3;/t11-,12-,13+,16-,17+,20+;
C19H19D3BrNO4S2475.43485300
57618123

Charge

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C19H22NO4S2.BrH/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15;/h3-8,11-13,16-17,22H,9-10H2,1-2H3;1H/q+1;/p-1/t11?,12-,13-,16-,17+;/m1./s1
C19H22BrNO4S2472.41635400
77499027

Charge

4 of 5 defined stereocentres - 4/5 defined

Non-standard isotope
InChI=1/C19H22NO4S2.BrH/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15;/h3-8,11-13,16-17,22H,9-10H2,1-2H3;1H/q+1;/p-1/t11?,12-,13-,16-,17+;/m1./s1/i1D3,2D3;
C19H16D6BrNO4S2478.45333300
82963364

Charge

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C19H22NO4S2.BrH/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15;/h3-8,11-13,16-17,22H,9-10H2,1-2H3;1H/q+1;/p-1/t11-,12+,13-,16+,17-;
C19H22BrNO4S2472.41632200
107447630

Charge

5 of 5 defined stereocentres - 5/5 defined

Non-standard isotope
InChI=1/C19H22NO4S2.BrH/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15;/h3-8,11-13,16-17,22H,9-10H2,1-2H3;1H/q+1;/p-1/t11-,12-,13+,16-,17+;/i1D3,2D3;
C19H16D6BrNO4S2478.45332500
23316082

Charge

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C19H22NO4S2.BrH/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15;/h3-8,11-13,16-17,22H,9-10H2,1-2H3;1H/q+1;/p-1/t11-,12-,13-,16-,17+;/m1./s1
C19H22BrNO4S2472.41632200
58994221

Charge

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C19H22NO4S2.BrH/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15;/h3-8,11-13,16-17,22H,9-10H2,1-2H3;1H/q+1;/p-1/t11-,12-,13-,16+,17-;/m1./s1
C19H22BrNO4S2472.41632200
9583725

Charge

2 of 5 defined stereocentres - 2/5 defined
InChI=1/C19H22NO4S2.BrH/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15;/h3-8,11-13,16-17,22H,9-10H2,1-2H3;1H/q+1;/p-1/t11?,12-,13+,16?,17?;
C19H22BrNO4S2472.41632300
114394424

Charge

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C19H22NO4S2.BrH/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15;/h3-8,11-13,16-17,22H,9-10H2,1-2H3;1H/q+1;/p-1/t11-,12+,13?,16-,17?;/m1./s1
C19H22BrNO4S2472.41631100
12

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