Matches any text strings used to describe a molecule.
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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Single/Multi-component
Isotopically Labeled
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Found 829 results

Search term: C16H28O3 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
88579

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C16H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15(17)19-16(14)18/h14H,2-13H2,1H3
C16H28O3268.3917635701
4510207

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C16H28O3/c1-13(10-7-11-16(3,4)19-5)8-6-9-14(2)12-15(17)18/h6,9,12-13H,7-8,10-11H2,1-5H3,(H,17,18)/b9-6+,14-12+
C16H28O3268.3917363600
21402197
InChI=1/C16H28O3/c1-2-19-16(18)13-9-4-3-8-12-15(17)14-10-6-5-7-11-14/h14H,2-13H2,1H3
C16H28O3268.3917302500
59719718

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C16H28O3/c1-3-4-5-6-7-9-12-16(15(18)19-2)13-10-8-11-14(16)17/h3-13H2,1-2H3
C16H28O3268.3917161300
1469551
InChI=1/C16H28O3/c1-6-14(2,3)18-19-15(4,5)12-13-16(17)10-8-7-9-11-16/h17H,6-11H2,1-5H3
C16H28O3268.3917151100
222994

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C16H28O3/c1-5-6-7-8-9-19-15(18)11-13-10-14(12(2)17)16(13,3)4/h13-14H,5-11H2,1-4H3
C16H28O3268.3917141100
1462236
InChI=1/C16H28O3/c1-7-14(2,3)18-19-15(4,5)12-13-16(17-6)10-8-9-11-16/h7-11H2,1-6H3
C16H28O3268.3917141100
29365506

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C16H28O3/c1-2-3-12-15(17)13-10-8-6-4-5-7-9-11-14-16(18)19/h1,15,17H,3-14H2,(H,18,19)/t15-/m1/s1
C16H28O3268.391713900
9076880

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C16H28O3/c1-2-19-16(18)14-12-10-8-6-4-3-5-7-9-11-13-15(14)17/h14H,2-13H2,1H3
C16H28O3268.3917111000
4894452

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C16H28O3/c1-14(2)7-5-8-15(3)11(14)6-9-16(4,19)12(15)10-13(17)18/h11-12,19H,5-10H2,1-4H3,(H,17,18)/t11-,12+,15-,16+/m0/s1
C16H28O3268.391710500
3005692

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C16H28O3/c1-14(2)7-5-8-15(3)11(14)6-9-16(4,19)12(15)10-13(17)18/h11-12,19H,5-10H2,1-4H3,(H,17,18)
C16H28O3268.3917210600
3380208
InChI=1/C16H28O3/c1-2-3-4-5-6-7-8-9-12-15(17)13-10-11-14-16(18)19/h2H,1,3-14H2,(H,18,19)
C16H28O3268.3917210900
4450887

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C16H28O3/c1-13(10-7-11-16(3,4)19-5)8-6-9-14(2)12-15(17)18/h6,9,12-13H,7-8,10-11H2,1-5H3,(H,17,18)/b9-6+,14-12+/t13-/m1/s1
C16H28O3268.3917210900
344833

InChI=1/C16H28O3/c1-14(2,3)11(17)10(12(18)15(4,5)6)13(19)16(7,8)9/h10H,1-9H3
C16H28O3268.39179800
291231

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C16H28O3/c1-4-5-6-7-8-9-10-11-12-16(18)14(3)13(2)15(17)19-16/h18H,4-12H2,1-3H3
C16H28O3268.39178700
96096

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C16H28O3/c17-16-12-8-4-2-1-3-6-10-14-15(19-14)11-7-5-9-13-18-16/h14-15H,1-13H2
C16H28O3268.39178900
175473

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C16H28O3/c17-15-12-9-11-14(15)10-7-5-3-1-2-4-6-8-13-16(18)19/h14H,1-13H2,(H,18,19)
C16H28O3268.39178900
53027
InChI=1/C16H28O3/c1-2-19-16(15(17)18,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h13-14H,2-12H2,1H3,(H,17,18)
C16H28O3268.39177700
8763363

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C16H28O3/c1-15(2)11-9-7-5-3-4-6-8-10-12-19-14-16(18)13-17/h10,12,15-18H,3-5,7,9,11,13-14H2,1-2H3/b12-10-/t16-/m0/s1
C16H28O3268.39177600
9024828

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C16H28O3/c1-3-15(2)11-9-7-5-4-6-8-10-12-19-14-16(18)13-17/h10,12,15-18H,3-5,7,9,11,13-14H2,1-2H3/b12-10-/t15?,16-/m0/s1
C16H28O3268.39177600
12345

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