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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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Single/Multi-component
Isotopically Labeled
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Found 44 results

Search term: CCCCCC/C=C\CCC/C=C/C=C/C(=O)O (Found by conversion of search term to chemical structure (skeleton match))
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4471853

Double-bond stereo
InChI=1/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h3-4,6-7,9-10H,2,5,8,11-15H2,1H3,(H,17,18)/b4-3-,7-6-,10-9-
C16H26O2250.3764232300
4445940

Double-bond stereo
InChI=1/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h3-4,6-7,9-10H,2,5,8,11-15H2,1H3,(H,17,18)/b4-3+,7-6+,10-9+
C16H26O2250.3764151800
4445941

Double-bond stereo
InChI=1/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2,4-5,7-8H,1,3,6,9-15H2,(H,17,18)/b5-4+,8-7+
C16H26O2250.37644121400
4445936

Double-bond stereo
InChI=1/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h6-7,9-10,12-13H,2-5,8,11,14-15H2,1H3,(H,17,18)/b7-6+,10-9+,13-12+
C16H26O2250.37644101440
52085576

Double-bond stereo
InChI=1/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h4-5,7-8,10-11H,2-3,6,9,12-15H2,1H3,(H,17,18)/b5-4-,8-7-,11-10-
C16H26O2250.376491000
4445938

Double-bond stereo
InChI=1/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h4-5,7-8,10-11H,2-3,6,9,12-15H2,1H3,(H,17,18)/b5-4+,8-7+,11-10+
C16H26O2250.3764481300
5005824

Double-bond stereo
InChI=1/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h10-15H,2-9H2,1H3,(H,17,18)/b11-10+,13-12+,15-14+
C16H26O2250.376473000
68003916

Double-bond stereo
InChI=1/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h1,7-8H,3-6,9-15H2,(H,17,18)/b8-7-
C16H26O2250.37646600
4445939

Double-bond stereo
InChI=1/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-3,6-7,10-11H,4-5,8-9,12-15H2,1H3,(H,17,18)/b3-2+,7-6+,11-10+
C16H26O2250.376445700
76714545

Double-bond stereo

Non-standard isotope
InChI=1/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h3-4,6-7,9-10H,2,5,8,11-15H2,1H3,(H,17,18)/b4-3-,7-6-,10-9-/i3D,4D,6D,7D,9D,10D
C16H20D6O2256.41344400
21237801

Double-bond stereo
InChI=1/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h6-7,9-10,12-13H,2-5,8,11,14-15H2,1H3,(H,17,18)
C16H26O2250.37644240
7822561

Double-bond stereo
InChI=1/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h3-4,9-10,12-13H,2,5-8,11,14-15H2,1H3,(H,17,18)/b4-3+,10-9+,13-12+
C16H26O2250.37644500
21378336

Double-bond stereo
InChI=1/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h3-4H,2,7-15H2,1H3,(H,17,18)/b4-3+
C16H26O2250.37644620
21237803

Double-bond stereo
InChI=1/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h4-5,7-8,10-11H,2-3,6,9,12-15H2,1H3,(H,17,18)
C16H26O2250.37643201
4445937

Double-bond stereo
InChI=1/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h5-6,8-9,11-12H,2-4,7,10,13-15H2,1H3,(H,17,18)/b6-5+,9-8+,12-11+
C16H26O2250.376443400
4946732

Double-bond stereo
InChI=1/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h10-15H,2-9H2,1H3,(H,17,18)/b11-10-,13-12-,15-14-
C16H26O2250.37643400
8597669

Double-bond stereo
InChI=1/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h3-8H,2,9-15H2,1H3,(H,17,18)/b4-3-,6-5+,8-7-
C16H26O2250.37642100
8714058

Double-bond stereo
InChI=1/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-6H,1,7-15H2,(H,17,18)/b4-3+,6-5+
C16H26O2250.37642100
10136373

Double-bond stereo
InChI=1/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h4-9H,2-3,10-15H2,1H3,(H,17,18)/b5-4+,7-6+,9-8+
C16H26O2250.37642100
123

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