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
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
Additional Filters

Found 18 results

Search term: BOTWFXYSPFMFNR (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4444094

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+/t18-,19-/m1/s1
C20H40O296.53190105448266
4518143

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+
C20H40O296.531749341
128247

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3
C20H40O296.531363421
4478602

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15-
C20H40O296.531232100
25991984

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/t18-,19-/m1/s1
C20H40O296.531152700
4936171

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15-/t18-,19-/m1/s1
C20H40O296.531121200
8147419

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+/t18-,19+/m0/s1
C20H40O296.5315100
32787421

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+/t18-,19-/m0/s1
C20H40O296.5314300
4976807

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+/t18-,19+/m1/s1
C20H40O296.5313100
8813546

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined

Non-standard isotope
InChI=1/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+/i6+1,7+1,8+1,9+1,11+1,13+1,15+1
C1313C7H40O303.47962100
9003672

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+/t18-,19-/m1/s1/i9+1,11+1,13+1,15+1,17+1,18+1,19+1,20+1
C1213C8H40O304.47222100
9476150

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+/t18-,19-/m1/s1/i1+1,3+1,4+1,5+1,6+1,7+1,8+1,16+1/t17?,18-,19-
C1213C8H40O304.47222200
82964842

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+/t18?,19-/m1/s1
C20H40O296.5312100
107450953

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+/t18-,19-/m1/s1/i5D3,14D2
C20H35D5O301.56181400
128918824

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+/t18-,19-/m1/s1/i5D3,14D2,15D
C20H34D6O302.5681600

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