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 20 results

Search term: IBZYPBGPOGJMBF (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4593720

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H29NO4/c1-4-6-7-8-14-13(9-10-15(14)20)11-16(21)19-17(18(22)23)12(3)5-2/h6-7,12-14,17H,4-5,8-11H2,1-3H3,(H,19,21)(H,22,23)/b7-6-/t12-,13+,14+,17-/m0/s1
C18H29NO4323.4272262400
24604905

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H29NO4/c1-4-6-7-8-14-13(9-10-15(14)20)11-16(21)19-17(18(22)23)12(3)5-2/h6-7,12-14,17H,4-5,8-11H2,1-3H3,(H,19,21)(H,22,23)/b7-6-/t12-,13+,14-,17-/m0/s1
C18H29NO4323.427289000
24785127

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C18H29NO4/c1-4-6-7-8-14-13(9-10-15(14)20)11-16(21)19-17(18(22)23)12(3)5-2/h6-7,12-14,17H,4-5,8-11H2,1-3H3,(H,19,21)(H,22,23)/b7-6+
C18H29NO4323.42725800
4932231

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H29NO4/c1-4-6-7-8-14-13(9-10-15(14)20)11-16(21)19-17(18(22)23)12(3)5-2/h6-7,12-14,17H,4-5,8-11H2,1-3H3,(H,19,21)(H,22,23)/b7-6+/t12-,13+,14+,17-/m0/s1
C18H29NO4323.42724300
76962838

Charge

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H29NO4/c1-4-6-7-8-14-13(9-10-15(14)20)11-16(21)19-17(18(22)23)12(3)5-2/h6-7,12-14,17H,4-5,8-11H2,1-3H3,(H,19,21)(H,22,23)/p-1/b7-6-/t12-,13+,14-,17-/m0/s1
C18H28NO4322.41983400
64808298

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C18H29NO4/c1-4-6-7-8-14-13(9-10-15(14)20)11-16(21)19-17(18(22)23)12(3)5-2/h6-7,12-14,17H,4-5,8-11H2,1-3H3,(H,19,21)(H,22,23)/b7-6-/t12-,13+,14?,17-/m0/s1
C18H29NO4323.42722300
107445011

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C18H29NO4/c1-4-6-7-8-14-13(9-10-15(14)20)11-16(21)19-17(18(22)23)12(3)5-2/h6-7,12-14,17H,4-5,8-11H2,1-3H3,(H,19,21)(H,22,23)/b7-6-/t12-,13+,14-,17-/m0/s1/i19+1
C18H2915NO4324.42062200
48061245

Double-bond stereo

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C18H29NO4/c1-4-6-7-8-14-13(9-10-15(14)20)11-16(21)19-17(18(22)23)12(3)5-2/h6-7,12-14,17H,4-5,8-11H2,1-3H3,(H,19,21)(H,22,23)/b7-6-/t12-,13?,14?,17-/m0/s1
C18H29NO4323.42722100
128920585

Charge

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H29NO4/c1-4-6-7-8-14-13(9-10-15(14)20)11-16(21)19-17(18(22)23)12(3)5-2/h6-7,12-14,17H,4-5,8-11H2,1-3H3,(H,19,21)(H,22,23)/p-1/b7-6-/t12-,13+,14+,17-/m0/s1
C18H28NO4322.41982200
24604904

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H29NO4/c1-4-6-7-8-14-13(9-10-15(14)20)11-16(21)19-17(18(22)23)12(3)5-2/h6-7,12-14,17H,4-5,8-11H2,1-3H3,(H,19,21)(H,22,23)/b7-6-/t12-,13-,14-,17-/m0/s1
C18H29NO4323.42722200
129307545

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C18H29NO4/c1-4-6-7-8-14-13(9-10-15(14)20)11-16(21)19-17(18(22)23)12(3)5-2/h6-7,12-14,17H,4-5,8-11H2,1-3H3,(H,19,21)(H,22,23)/b7-6-
C18H29NO4323.42721100
57427480

Double-bond stereo

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C18H29NO4/c1-4-6-7-8-14-13(9-10-15(14)20)11-16(21)19-17(18(22)23)12(3)5-2/h6-7,12-14,17H,4-5,8-11H2,1-3H3,(H,19,21)(H,22,23)/b7-6-/t12?,13-,14-,17?/m1/s1
C18H29NO4323.42721100
58783329

Double-bond stereo

2 of 4 defined stereocentres - 2/4 defined

Non-standard isotope
InChI=1/C18H29NO4/c1-4-6-7-8-14-13(9-10-15(14)20)11-16(21)19-17(18(22)23)12(3)5-2/h6-7,12-14,17H,4-5,8-11H2,1-3H3,(H,19,21)(H,22,23)/b7-6-/t12-,13?,14?,17-/m0/s1/i1D3
C18H26D3NO4326.44561100
24604894

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H29NO4/c1-4-6-7-8-14-13(9-10-15(14)20)11-16(21)19-17(18(22)23)12(3)5-2/h6-7,12-14,17H,4-5,8-11H2,1-3H3,(H,19,21)(H,22,23)/b7-6-/t12-,13+,14+,17+/m0/s1
C18H29NO4323.42721100
24604901

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H29NO4/c1-4-6-7-8-14-13(9-10-15(14)20)11-16(21)19-17(18(22)23)12(3)5-2/h6-7,12-14,17H,4-5,8-11H2,1-3H3,(H,19,21)(H,22,23)/b7-6-/t12-,13-,14+,17-/m0/s1
C18H29NO4323.42721100
114101129

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H29NO4/c1-4-6-7-8-14-13(9-10-15(14)20)11-16(21)19-17(18(22)23)12(3)5-2/h6-7,12-14,17H,4-5,8-11H2,1-3H3,(H,19,21)(H,22,23)/b7-6-/t12-,13+,14+,17-/m1/s1
C18H29NO4323.42721100
68025522

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C18H29NO4/c1-4-6-7-8-14-13(9-10-15(14)20)11-16(21)19-17(18(22)23)12(3)5-2/h6-7,12-14,17H,4-5,8-11H2,1-3H3,(H,19,21)(H,22,23)/b7-6-/t12-,13+,14+,17?/m0/s1
C18H29NO4323.42721100
76963050

Charge

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C18H29NO4/c1-4-6-7-8-14-13(9-10-15(14)20)11-16(21)19-17(18(22)23)12(3)5-2/h6-7,12-14,17H,4-5,8-11H2,1-3H3,(H,19,21)(H,22,23)/p-1/b7-6-/t12-,13+,14?,17-/m0/s1
C18H28NO4322.41981200
78437677

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H29NO4/c1-4-6-7-8-14-13(9-10-15(14)20)11-16(21)19-17(18(22)23)12(3)5-2/h6-7,12-14,17H,4-5,8-11H2,1-3H3,(H,19,21)(H,22,23)/b7-6-/t12-,13-,14+,17+/m1/s1
C18H29NO4323.42721100
78438211

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H29NO4/c1-4-6-7-8-14-13(9-10-15(14)20)11-16(21)19-17(18(22)23)12(3)5-2/h6-7,12-14,17H,4-5,8-11H2,1-3H3,(H,19,21)(H,22,23)/b7-6-/t12-,13-,14-,17+/m1/s1
C18H29NO4323.42721100

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