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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
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Found 144 results

Search term: C21H22NO4 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
17947

Charge
InChI=1/C21H22NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,9-12H,7-8H2,1-4H3/q+1
C21H22NO4352.403140172247107
559079

Charge
InChI=1/C21H22NO4/c1-23-18-8-13-5-6-22-12-15-10-20(25-3)19(24-2)9-14(15)7-17(22)16(13)11-21(18)26-4/h7-12H,5-6H2,1-4H3/q+1
C21H22NO4352.40318700
380431

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H22NO4/c1-22(2)5-4-11-7-15(23-3)21-19-17-12(6-14(22)18(11)19)8-16-20(26-10-25-16)13(17)9-24-21/h7-8,14H,4-6,9-10H2,1-3H3/q+1
C21H22NO4352.40317500
559078

Charge
InChI=1/C21H22NO4/c1-23-18-6-5-15-16(21(18)26-4)7-8-22-12-14-11-20(25-3)19(24-2)10-13(14)9-17(15)22/h5-6,9-12H,7-8H2,1-4H3/q+1
C21H22NO4352.40315400
4475496

Charge
InChI=1/C21H21NO4/c1-12-14-5-6-18(24-2)21(26-4)16(14)11-22-8-7-13-9-17(23)19(25-3)10-15(13)20(12)22/h5-6,9-11H,7-8H2,1-4H3/p+1
C21H22NO4352.40314400
1359874

Charge
InChI=1/C21H22NO4/c1-23-16-5-3-15(4-6-16)21-14-19(22-9-11-25-12-10-22)18-13-17(24-2)7-8-20(18)26-21/h3-8,13-14H,9-12H2,1-2H3/q+1
C21H22NO4352.40314100
382271

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H22NO4/c1-22-7-6-14-9-19-20(26-12-25-19)10-15(14)17(22)8-13-4-5-18(23-2)21(24-3)16(13)11-22/h4-5,8-10H,6-7,11-12H2,1-3H3/q+1
C21H22NO4352.40313200
1323623

Charge
InChI=1/C21H22NO4/c1-23-19-8-7-15(13-21(19)24-2)20-14-17(22-9-11-25-12-10-22)16-5-3-4-6-18(16)26-20/h3-8,13-14H,9-12H2,1-2H3/q+1
C21H22NO4352.40313100
4479534

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H22NO4/c1-22(2)5-4-11-7-15(23-3)21-19-17-12(6-14(22)18(11)19)8-16-20(26-10-25-16)13(17)9-24-21/h7-8,14H,4-6,9-10H2,1-3H3/q+1/t14-/m0/s1
C21H22NO4352.40312200
5337939

Charge
InChI=1/C21H21NO4/c1-24-19-9-14-7-8-22(11-15(14)10-20(19)25-2)12-16-13-26-18-6-4-3-5-17(18)21(16)23/h3-6,9-10,13H,7-8,11-12H2,1-2H3/p+1
C21H22NO4352.40312200
5356598

Charge
InChI=1/C21H21NO4/c1-25-15-6-4-14(5-7-15)18-13-26-21-16(20(18)24)8-9-19(23)17(21)12-22-10-2-3-11-22/h4-9,13,23H,2-3,10-12H2,1H3/p+1
C21H22NO4352.40312200
5360641

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H23NO4/c1-3-13(2)19(20(23)24)22-21(25)26-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,13,18-19H,3,12H2,1-2H3,(H,22,25)(H,23,24)/p-1/t13-,19+/m1/s1
C21H22NO4352.40422100
5602536

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H23NO4/c1-2-3-12-19(20(23)24)22-21(25)26-13-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,2-3,12-13H2,1H3,(H,22,25)(H,23,24)/p-1/t19-/m1/s1
C21H22NO4352.40422100
21471016

Charge
InChI=1/C21H21NO4/c1-21(2)16-12-14(20(25)26-4)5-8-17(16)22(3)19(21)10-6-13-11-15(23)7-9-18(13)24/h5-12,23H,1-4H3/p+1
C21H22NO4352.40312100
35828

Charge
InChI=1/C21H22NO4/c1-22(2,3)13-18(23)26-14-21(15-9-5-4-6-10-15)19(24)16-11-7-8-12-17(16)20(21)25/h4-12H,13-14H2,1-3H3/q+1
C21H22NO4352.40312200
374834

Charge

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C21H22NO4/c1-3-25-20(23)17-16-13-9-5-6-10-14(13)19(18(17)21(24)26-4-2)22-12-8-7-11-15(16)22/h5-12,16-19H,3-4H2,1-2H3/q+1
C21H22NO4352.40312100
1411762

Charge
InChI=1/C21H21NO4/c1-14-11-20(23)26-21-17(14)7-8-19-18(21)12-22(13-25-19)10-9-15-3-5-16(24-2)6-4-15/h3-8,11H,9-10,12-13H2,1-2H3/p+1
C21H22NO4352.40312200
2904607

Charge

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H21NO4/c1-24-21-11-14(8-9-18(21)23)20-12-17(22-13-15-5-4-10-25-15)16-6-2-3-7-19(16)26-20/h2-3,6-9,11-12,15,23H,4-5,10,13H2,1H3/p+1/b22-17+
C21H22NO4352.403682200
3722822

Charge
InChI=1/C21H22NO4/c1-22-11-16-13(6-7-17(23-2)21(16)26-5)15-8-12-9-18(24-3)19(25-4)10-14(12)20(15)22/h6-7,9-11H,8H2,1-5H3/q+1
C21H22NO4352.403682100
3838384

Charge
InChI=1/C21H21NO4/c1-25-15-6-4-14(5-7-15)21(24)17-13-26-19-9-8-18(23)16(20(17)19)12-22-10-2-3-11-22/h4-9,13,23H,2-3,10-12H2,1H3/p+1
C21H22NO4352.40312200
12345

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