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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 1305 results

Search term: C16H28O2 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
112945
InChI=1/C16H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h1H,3-15H2,(H,17,18)
C16H28O2252.3923524810
4517604

Double-bond stereo
InChI=1/C16H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h3-4,6-7H,5,8-15H2,1-2H3/b4-3+,7-6-
C16H28O2252.3923475200
4945280

Double-bond stereo
InChI=1/C16H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h4-7H,3,8-15H2,1-2H3/b5-4+,7-6-
C16H28O2252.3923454700
4517661

Double-bond stereo
InChI=1/C16H28O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h2,4H,1,3,5-15H2/b4-2-
C16H28O2252.3923404400
694204

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C16H28O2/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)16(17)18/h12-15H,2-11H2,1H3,(H,17,18)
C16H28O2252.3923382700
4517924

Double-bond stereo
InChI=1/C16H28O2/c1-5-6-7-11-16(17)18-13-12-15(4)10-8-9-14(2)3/h9,12H,5-8,10-11,13H2,1-4H3/b15-12+
C16H28O2252.3923375700
490773

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C16H28O2/c1-6-8-9-12-15(17)18-16(5,7-2)13-10-11-14(3)4/h7,11H,2,6,8-10,12-13H2,1,3-5H3
C16H28O2252.3923373400
4728920

Double-bond stereo
InChI=1/C16H28O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h4,6H,1-3,5,7-15H2/b6-4+
C16H28O2252.3923334000
4814411

Double-bond stereo
InChI=1/C16H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h4-7H,3,8-15H2,1-2H3/b5-4+,7-6+
C16H28O2252.3923323100
4511310

Double-bond stereo
InChI=1/C16H28O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h1,3H,2,4-15H2/b3-1-
C16H28O2252.3923292500
18542870

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C16H28O2/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)16(17)18/h12-15H,2-11H2,1H3,(H,17,18)/t12-,13-,14-,15-
C16H28O2252.3923272300
10025696

Double-bond stereo
InChI=1/C16H28O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h1,3H,2,4-15H2/b3-1+
C16H28O2252.3923252800
16499840
InChI=1/C16H28O2/c1-2-18-16(17)14-15-12-10-8-6-4-3-5-7-9-11-13-15/h14H,2-13H2,1H3
C16H28O2252.3923241600
4941258

Double-bond stereo
InChI=1/C16H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h3-4,6-7H,5,8-15H2,1-2H3/b4-3-,7-6+
C16H28O2252.3923242500
99343

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C16H28O2/c17-16(18)14-8-6-4-2-1-3-5-7-11-15-12-9-10-13-15/h9,12,15H,1-8,10-11,13-14H2,(H,17,18)
C16H28O2252.3923232400
4941290

Double-bond stereo
InChI=1/C16H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h4-7H,3,8-15H2,1-2H3/b5-4-,7-6+
C16H28O2252.3923222200
19023140

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C16H28O2/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)16(17)18/h12-15H,2-11H2,1H3,(H,17,18)/t12?,13?,14-,15-
C16H28O2252.3923221400
8714177

Double-bond stereo
InChI=1/C16H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h7-8,12-13H,3-6,9-11,14-15H2,1-2H3/b8-7-,13-12+
C16H28O2252.3923212300
144298

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C16H28O2/c17-16(18)14-8-6-4-2-1-3-5-7-11-15-12-9-10-13-15/h9,12,15H,1-8,10-11,13-14H2,(H,17,18)/t15-/m0/s1
C16H28O2252.3923211811
77609

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C16H28O2/c1-7-8-9-18-13-10-15(3,4)14(12(2)17)16(5,6)11-13/h10,14H,7-9,11H2,1-6H3
C16H28O2252.3923191600
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