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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 27 results

Search term: LHLMOSXCXGLMMN (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10481997

Charge

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C20H30NO3.BrH/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15;/h4-8,14,16-19,22H,9-13H2,1-3H3;1H/q+1;/p-1/t16-,17+,18+,19?,21?;
C20H30BrNO3412.361140503021
28855

Charge

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C20H30NO3.BrH/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15;/h4-8,14,16-19,22H,9-13H2,1-3H3;1H/q+1;/p-1
C20H30BrNO3412.36111957000
18541301

Charge

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C20H30NO3.BrH/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15;/h4-8,14,16-19,22H,9-13H2,1-3H3;1H/q+1;/p-1/t16-,17+,18-,19?,21?;
C20H30BrNO3412.3611151100
21865423

Charge

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C20H30NO3.BrH/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15;/h4-8,14,16-19,22H,9-13H2,1-3H3;1H/q+1;/p-1/t16-,17+,18+,19?,21+;
C20H30BrNO3412.3611151500
571432

Charge

2 of 5 defined stereocentres - 2/5 defined
InChI=1/C20H30NO3.BrH/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15;/h4-8,14,16-19,22H,9-13H2,1-3H3;1H/q+1;/p-1/t16-,17+,18?,19?,21?;
C20H30BrNO3412.361113600
21257620

Charge

1 of 5 defined stereocentres - 1/5 defined
InChI=1/C20H30NO3.BrH/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15;/h4-8,14,16-19,22H,9-13H2,1-3H3;1H/q+1;/p-1/t16?,17?,18-,19?,21?;
C20H30BrNO3412.361110700
57425293

Charge

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C20H30NO3.BrH/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15;/h4-8,14,16-19,22H,9-13H2,1-3H3;1H/q+1;/p-1/t16-,17+,18+,19?,21-;
C20H30BrNO3412.36116800
9728147

Charge

2 of 5 defined stereocentres - 2/5 defined
InChI=1/C20H30NO3.BrH/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15;/h4-8,14,16-19,22H,9-13H2,1-3H3;1H/q+1;/p-1/t16-,17-,18?,19?,21?;/m1./s1
C20H30BrNO3412.36114300
77499414

Charge

4 of 5 defined stereocentres - 4/5 defined

Non-standard isotope
InChI=1/C20H30NO3.BrH/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15;/h4-8,14,16-19,22H,9-13H2,1-3H3;1H/q+1;/p-1/t16-,17+,18+,19?,21+;/i1D3,2D3,14D;
C20H23D7BrNO3419.40424500
21111690

Charge

2 of 5 defined stereocentres - 2/5 defined
InChI=1/C20H30NO3.BrH/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15;/h4-8,14,16-19,22H,9-13H2,1-3H3;1H/q+1;/p-1/t16-,17?,18-,19?,21?;/m1./s1
C20H30BrNO3412.36114300
17346830

Charge

2 of 5 defined stereocentres - 2/5 defined
InChI=1/C20H30NO3.BrH/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15;/h4-8,14,16-19,22H,9-13H2,1-3H3;1H/q+1;/t16-,17+,18?,19?,21?;
C20H31BrNO3413.36853200
4642454

Charge

1 of 5 defined stereocentres - 1/5 defined
InChI=1/C20H30NO3.BrH/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15;/h4-8,14,16-19,22H,9-13H2,1-3H3;1H/q+1;/p-1/t16-,17?,18?,19?,21?;/m1./s1
C20H30BrNO3412.36112200
514857

Charge

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C20H30NO3.BrH/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15;/h4-8,14,16-19,22H,9-13H2,1-3H3;1H/q+1;
C20H31BrNO3413.369042200
114391564

Charge

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C20H30NO3.BrH/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15;/h4-8,14,16-19,22H,9-13H2,1-3H3;1H/q+1;/p-1/t16-,17-,18-,19?,21-;/m1./s1
C20H30BrNO3412.36112200
44208872

Charge

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C20H30NO3.BrH/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15;/h4-8,14,16-19,22H,9-13H2,1-3H3;1H/q+1;/p-1/t16-,17?,18+,19?,21-;/m0./s1
C20H30BrNO3412.36112200
60497967

Charge

4 of 5 defined stereocentres - 4/5 defined

Non-standard isotope
InChI=1/C20H30NO3.BrH/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15;/h4-8,14,16-19,22H,9-13H2,1-3H3;1H/q+1;/p-1/t16-,17+,18+,19?,21+;/i3D3;
C20H27D3BrNO3415.37962400
114394423

Charge

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C20H30NO3.BrH/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15;/h4-8,14,16-19,22H,9-13H2,1-3H3;1H/q+1;/p-1/t16-,17?,18-,19?,21-;/m1./s1
C20H30BrNO3412.36111100
114642749

Charge

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C20H30NO3.BrH/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15;/h4-8,14,16-19,22H,9-13H2,1-3H3;1H/q+1;/p-1/t16-,17-,18-,19?,21?;/m0./s1
C20H30BrNO3412.36111100
114724662

Charge

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C20H30NO3.BrH/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15;/h4-8,14,16-19,22H,9-13H2,1-3H3;1H/q+1;/p-1/t16-,17+,18?,19?,21-;
C20H30BrNO3412.36111100
12

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