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 16 results

Search term: DCJBINATHQHPKO (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4446268

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C20H34O4/c1-2-3-4-5-6-7-8-9-12-15-18(21)19(22)16-13-10-11-14-17-20(23)24/h6-7,9-10,12-13,18-19,21-22H,2-5,8,11,14-17H2,1H3,(H,23,24)/b7-6-,12-9-,13-10-
C20H34O4338.48156283020
4472396

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C20H34O4/c1-2-3-4-5-6-7-8-9-12-15-18(21)19(22)16-13-10-11-14-17-20(23)24/h6-7,9-10,12-13,18-19,21-22H,2-5,8,11,14-17H2,1H3,(H,23,24)/b7-6+,12-9+,13-10+
C20H34O4338.48156111100
29341381

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C20H34O4/c1-2-3-4-5-6-7-8-9-12-15-18(21)19(22)16-13-10-11-14-17-20(23)24/h6-7,9-10,12-13,18-19,21-22H,2-5,8,11,14-17H2,1H3,(H,23,24)/b7-6-,12-9-,13-10-/t18-,19+/m1/s1
C20H34O4338.481681100
31149369

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C20H34O4/c1-2-3-4-5-6-7-8-9-12-15-18(21)19(22)16-13-10-11-14-17-20(23)24/h6-7,9-10,12-13,18-19,21-22H,2-5,8,11,14-17H2,1H3,(H,23,24)/b7-6-,12-9-,13-10-/t18-,19-/m1/s1
C20H34O4338.48167600
52082954

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C20H34O4/c1-2-3-4-5-6-7-8-9-12-15-18(21)19(22)16-13-10-11-14-17-20(23)24/h6-7,9-10,12-13,18-19,21-22H,2-5,8,11,14-17H2,1H3,(H,23,24)/b7-6-,12-9-,13-10-/t18-,19+/m1/s1/i1D3,2D2,3D2,4D2,5D2
C20H23D11O4349.54935400
64808276

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C20H34O4/c1-2-3-4-5-6-7-8-9-12-15-18(21)19(22)16-13-10-11-14-17-20(23)24/h6-7,9-10,12-13,18-19,21-22H,2-5,8,11,14-17H2,1H3,(H,23,24)/b7-6-,12-9-,13-10-/t18-,19-/m0/s1
C20H34O4338.48162300
9856342

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C20H34O4/c1-2-3-4-5-6-7-8-9-12-15-18(21)19(22)16-13-10-11-14-17-20(23)24/h6-7,9-10,12-13,18-19,21-22H,2-5,8,11,14-17H2,1H3,(H,23,24)/b7-6+,12-9-,13-10+
C20H34O4338.48162100
21467747

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined

Non-standard isotope
InChI=1/C20H34O4/c1-2-3-4-5-6-7-8-9-12-15-18(21)19(22)16-13-10-11-14-17-20(23)24/h6-7,9-10,12-13,18-19,21-22H,2-5,8,11,14-17H2,1H3,(H,23,24)/b7-6-,12-9-,13-10-/i1D3,2D2,3D2,4D2,5D2
C20H23D11O4349.54932100
23253713

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C20H34O4/c1-2-3-4-5-6-7-8-9-12-15-18(21)19(22)16-13-10-11-14-17-20(23)24/h6-7,9-10,12-13,18-19,21-22H,2-5,8,11,14-17H2,1H3,(H,23,24)
C20H34O4338.48162200
115005718

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C20H34O4/c1-2-3-4-5-6-7-8-9-12-15-18(21)19(22)16-13-10-11-14-17-20(23)24/h6-7,9-10,12-13,18-19,21-22H,2-5,8,11,14-17H2,1H3,(H,23,24)/b7-6-,12-9-,13-10-/t18-,19-/m1/s1/i1D3,2D2,3D2,4D2,5D2
C20H23D11O4349.54932200
34448937

Charge

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C20H34O4/c1-2-3-4-5-6-7-8-9-12-15-18(21)19(22)16-13-10-11-14-17-20(23)24/h6-7,9-10,12-13,18-19,21-22H,2-5,8,11,14-17H2,1H3,(H,23,24)/p-1/b7-6-,12-9-,13-10-
C20H33O4337.47421100
76963019

Charge

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C20H34O4/c1-2-3-4-5-6-7-8-9-12-15-18(21)19(22)16-13-10-11-14-17-20(23)24/h6-7,9-10,12-13,18-19,21-22H,2-5,8,11,14-17H2,1H3,(H,23,24)/p-1/b7-6-,12-9-,13-10-/t18-,19-/m0/s1
C20H33O4337.47421200
76963024

Charge

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C20H34O4/c1-2-3-4-5-6-7-8-9-12-15-18(21)19(22)16-13-10-11-14-17-20(23)24/h6-7,9-10,12-13,18-19,21-22H,2-5,8,11,14-17H2,1H3,(H,23,24)/p-1/b7-6-,12-9-,13-10-/t18-,19-/m1/s1
C20H33O4337.47421200
95778938

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C20H34O4/c1-2-3-4-5-6-7-8-9-12-15-18(21)19(22)16-13-10-11-14-17-20(23)24/h6-7,9-10,12-13,18-19,21-22H,2-5,8,11,14-17H2,1H3,(H,23,24)/b7-6+,12-9+,13-10-
C20H34O4338.48161100

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