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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 7649 results

Search term: C17H20ClN3O (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
571465
InChI=1/C17H19N3O.ClH/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15;/h2-8,11,21H,9-10,12H2,1H3,(H,18,19);1H
C17H20ClN3O317.813271960193
5020874

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C17H20ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,9,11-12,22H,7-8,10H2,1-2H3/b14-9+
C17H20ClN3O317.8132446300
4941086

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C17H20ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,9,11-12,22H,7-8,10H2,1-2H3/b14-9-
C17H20ClN3O317.8132384300
630179
InChI=1/C17H20ClN3O/c1-3-21(4-2)16-11-9-15(10-12-16)20-17(22)19-14-7-5-13(18)6-8-14/h5-12H,3-4H2,1-2H3,(H2,19,20,22)
C17H20ClN3O317.8132332000
785106
InChI=1/C17H20ClN3O/c1-3-21(4-2)16-10-8-14(9-11-16)19-17(22)20-15-7-5-6-13(18)12-15/h5-12H,3-4H2,1-2H3,(H2,19,20,22)
C17H20ClN3O317.8132311900
636366
InChI=1/C17H20ClN3O/c1-12-15(17(22)19-13-8-4-2-5-9-13)16(18)21(20-12)14-10-6-3-7-11-14/h3,6-7,10-11,13H,2,4-5,8-9H2,1H3,(H,19,22)
C17H20ClN3O317.8132271900
723852
InChI=1/C17H20ClN3O/c1-19-7-3-6-16(19)13-20-8-10-21(11-9-20)17(22)14-4-2-5-15(18)12-14/h2-7,12H,8-11,13H2,1H3
C17H20ClN3O317.8132271700
828170
InChI=1/C17H20ClN3O/c1-4-21(5-2)13-8-9-15(12(3)11-13)20-17(22)14-7-6-10-19-16(14)18/h6-11H,4-5H2,1-3H3,(H,20,22)
C17H20ClN3O317.8132241200
1618985
InChI=1/C17H20ClN3O/c18-15-10-19-21(12-15)11-13-5-4-6-14(9-13)17(22)20-16-7-2-1-3-8-16/h4-6,9-10,12,16H,1-3,7-8,11H2,(H,20,22)
C17H20ClN3O317.8132231300
21513308
InChI=1/C17H20ClN3O/c1-10-7-12(17(2,3)4)16(22)15(8-10)21-19-13-6-5-11(18)9-14(13)20-21/h5-9,19-20,22H,1-4H3
C17H20ClN3O317.8132221200
4972278
InChI=1/C17H20ClN3O/c1-20-16(15(18)12-19-20)17(22)21-9-7-14(8-10-21)11-13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3
C17H20ClN3O317.8132211800
779530
InChI=1/C17H20ClN3O/c18-15-10-19-21(12-15)11-13-6-8-14(9-7-13)17(22)20-16-4-2-1-3-5-16/h6-10,12,16H,1-5,11H2,(H,20,22)
C17H20ClN3O317.8132211600
2846812

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C17H20ClN3O/c1-12-8-13(2)11-20(10-12)15-9-19-21(17(22)16(15)18)14-6-4-3-5-7-14/h3-7,9,12-13H,8,10-11H2,1-2H3
C17H20ClN3O317.8132201600
4500529

Double-bond stereo
InChI=1/C17H20ClN3O/c1-14-2-7-17(22-14)12-19-21-10-8-20(9-11-21)13-15-3-5-16(18)6-4-15/h2-7,12H,8-11,13H2,1H3/b19-12+
C17H20ClN3O317.8132201500
4249170
InChI=1/C17H20ClN3O/c18-15-8-6-13(7-9-15)11-21-12-16(10-19-21)20-17(22)14-4-2-1-3-5-14/h6-10,12,14H,1-5,11H2,(H,20,22)
C17H20ClN3O317.8132181400
1220832
InChI=1/C17H20ClN3O/c1-22-16-5-3-15(4-6-16)21-10-8-20(9-11-21)13-14-2-7-17(18)19-12-14/h2-7,12H,8-11,13H2,1H3
C17H20ClN3O317.8132181600
1031028
InChI=1/C17H20ClN3O/c18-15-8-6-13(7-9-15)12-21-11-10-16(20-21)19-17(22)14-4-2-1-3-5-14/h6-11,14H,1-5,12H2,(H,19,20,22)
C17H20ClN3O317.8132171300
19980298

Charge
InChI=1/C17H20N3O.ClH/c1-4-20(5-2)15-10-17-14(8-11(15)3)19-13-7-6-12(18)9-16(13)21-17;/h6-10H,4-5,18H2,1-3H3;1H/q+1;/p-1
C17H20ClN3O317.8132161300
1824833
InChI=1/C17H20ClN3O/c1-4-21(12(2)3)15-8-6-14(7-9-15)20-17(22)13-5-10-16(18)19-11-13/h5-12H,4H2,1-3H3,(H,20,22)
C17H20ClN3O317.8132151000
301167
InChI=1/C17H20ClN3O/c1-17(2,3)16(22)19-15-13(18)14(11-9-10-11)20-21(15)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,19,22)
C17H20ClN3O317.8132151000
12345

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