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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
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Found 23 results

Search term: C12H18Cl2N4OS (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5967

Charge
InChI=1/C12H17N4OS.2ClH/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;;/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);2*1H/q+1;;/p-1
C12H18Cl2N4OS337.268510332900
21111692

Charge
InChI=1/C12H17N4OS.2ClH/c1-8-11(3-4-17)18-7-16(8)6-10-5-12(13)15-9(2)14-10;;/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);2*1H/q+1;;/p-1
C12H18Cl2N4OS337.268510800
63652846

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H18Cl2N4OS/c1-20-5-2-10(15)12(19)17-4-3-16-11-9(14)6-8(13)7-18-11/h6-7,10H,2-5,15H2,1H3,(H,16,18)(H,17,19)/t10-/m0/s1
C12H18Cl2N4OS337.26853400
103819891

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C12H16N4OS.2ClH/c1-4-18-12-10(1)11(15-8-16-12)14-6-9-5-13-2-3-17-7-9;;/h1,4,8-9,13H,2-3,5-7H2,(H,14,15,16);2*1H
C12H18Cl2N4OS337.26852100
103824352

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H16N4OS.2ClH/c1-7-14-9-3-5-18-11(9)12(15-7)16-8-2-4-13-6-10(8)17;;/h3,5,8,10,13,17H,2,4,6H2,1H3,(H,14,15,16);2*1H/t8-,10-;;/m1../s1
C12H18Cl2N4OS337.26852100
103828374

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C12H16N4OS.2ClH/c1-7-14-11(8-3-5-18-12(8)15-7)16-9-6-13-4-2-10(9)17;;/h3,5,9-10,13,17H,2,4,6H2,1H3,(H,14,15,16);2*1H/t9-,10+;;/m0../s1
C12H18Cl2N4OS337.26852100
60467503
InChI=1/C12H18Cl2N4OS/c1-2-3-6-19-7-4-5-15-12(20)16-11-9(13)8-10(14)17-18-11/h8H,2-7H2,1H3,(H2,15,16,18,20)
C12H18Cl2N4OS337.26852200
70354558

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C12H18Cl2N4OS/c1-20-5-2-10(15)12(19)17-4-3-16-11-9(14)6-8(13)7-18-11/h6-7,10H,2-5,15H2,1H3,(H,16,18)(H,17,19)
C12H18Cl2N4OS337.26851100
102286357

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C12H18Cl2N4OS/c13-5-1-3-9(14)8-16-12(20)18-17-11(19)7-10-4-2-6-15-10/h2,4,6,9,15H,1,3,5,7-8H2,(H,17,19)(H2,16,18,20)
C12H18Cl2N4OS337.26851100
53821122
InChI=1/C12H16N4OS.2ClH/c1-8-7-10(11(17)14-4-3-13)9(2)16(8)12-15-5-6-18-12;;/h5-7H,3-4,13H2,1-2H3,(H,14,17);2*1H
C12H18Cl2N4OS337.26851100
53827917
InChI=1/C12H16N4OS.2ClH/c1-8-16-11(7-18-8)9-5-10(15-6-9)12(17)14-4-2-3-13;;/h5-7,15H,2-4,13H2,1H3,(H,14,17);2*1H
C12H18Cl2N4OS337.26851100
53875015

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C12H16N4OS.2ClH/c1-13-9-3-2-4-15(6-9)12(17)10-7-18-11-5-14-8-16(10)11;;/h5,7-9,13H,2-4,6H2,1H3;2*1H
C12H18Cl2N4OS337.26851100
53880701
InChI=1/C12H16N4OS.2ClH/c1-8-16-11(7-18-8)9-5-10(15-6-9)12(17)14-4-3-13-2;;/h5-7,13,15H,3-4H2,1-2H3,(H,14,17);2*1H
C12H18Cl2N4OS337.26851100
54169613
InChI=1/C12H17ClN4OS.ClH/c1-12(2,14)11-15-10(18-16-11)7-17(3)6-8-4-5-9(13)19-8;/h4-5H,6-7,14H2,1-3H3;1H
C12H18Cl2N4OS337.26851100
54225073

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C12H16N4OS.2ClH/c1-8-2-9(3-13)5-15(8)12(17)10-6-18-11-4-14-7-16(10)11;;/h4,6-9H,2-3,5,13H2,1H3;2*1H
C12H18Cl2N4OS337.26851100
54227343

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C12H16N4OS.2ClH/c1-9(16-6-4-13-5-7-16)12-14-11(15-17-12)10-3-2-8-18-10;;/h2-3,8-9,13H,4-7H2,1H3;2*1H
C12H18Cl2N4OS337.26851100
54228430
InChI=1/C12H16N4OS.2ClH/c1-9-8-18-12-14-10(6-11(17)16(9)12)7-15-4-2-13-3-5-15;;/h6,8,13H,2-5,7H2,1H3;2*1H
C12H18Cl2N4OS337.26851100
54560430

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H16N4OS.2ClH/c1-7(4-13)15-12(17)10-3-9(5-14-10)11-6-18-8(2)16-11;;/h3,5-7,14H,4,13H2,1-2H3,(H,15,17);2*1H/t7-;;/m0../s1
C12H18Cl2N4OS337.26851100
54720773

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C12H16N4OS.2ClH/c1-12(6-13)2-3-15(7-12)11(17)9-5-18-10-4-14-8-16(9)10;;/h4-5,8H,2-3,6-7,13H2,1H3;2*1H
C12H18Cl2N4OS337.26851100
57715547

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C12H16N4OS.2ClH/c1-8(9-4-13-5-9)11(17)14-6-10-7-16-2-3-18-12(16)15-10;;/h2-3,7-9,13H,4-6H2,1H3,(H,14,17);2*1H
C12H18Cl2N4OS337.26851100
12

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