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 14 results

Search term: WLRMANUAADYWEA (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4444515

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H24N4O3S.C4H4O4/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17;5-3(6)1-2-4(7)8/h10,14,18H,4-9H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t10-;/m0./s1
C17H28N4O7S432.49188510366318
4531559

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C13H24N4O3S.C4H4O4/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17;5-3(6)1-2-4(7)8/h10,14,18H,4-9H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
C17H28N4O7S432.4918313700
4642500

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H24N4O3S.C4H4O4/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17;5-3(6)1-2-4(7)8/h10,14,18H,4-9H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t10-;/m1./s1
C17H28N4O7S432.4918312600
21112316

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H24N4O3S.C4H4O4/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17;5-3(6)1-2-4(7)8/h10,14,18H,4-9H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t10-;/m1./s1
C17H28N4O7S432.491822206457
5007829

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C13H24N4O3S.C4H4O4/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17;5-3(6)1-2-4(7)8/h10,14,18H,4-9H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
C17H28N4O7S432.49181948800
17347352

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H24N4O3S.C4H4O4/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17;5-3(6)1-2-4(7)8/h10,14,18H,4-9H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t10-;/m0./s1
C17H28N4O7S432.4918161300
23976974

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C13H24N4O3S.C4H4O4/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17;5-3(6)1-2-4(7)8/h10,14,18H,4-9H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/i8D2,9D2,10D;
C17H23D5N4O7S437.522691000
35452544

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H24N4O3S.C4H4O4/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17;5-3(6)1-2-4(7)8/h10,14,18H,4-9H2,1-3H3;1-2H,(H,5,6)(H,7,8)/t10-;/m1./s1
C17H28N4O7S432.49182200
58793402

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C13H24N4O3S.C4H4O4/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17;5-3(6)1-2-4(7)8/h10,14,18H,4-9H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t10-;/m0./s1/i1D3,2D3,3D3;
C17H19D9N4O7S441.54732200
115010936

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C13H24N4O3S.C4H4O4/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17;5-3(6)1-2-4(7)8/h10,14,18H,4-9H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t10-;/m1./s1/i1D3,2D3,3D3;
C17H19D9N4O7S441.54731100
17333290

Charge

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C13H24N4O3S.C4H4O4/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17;5-3(6)1-2-4(7)8/h10,14,18H,4-9H2,1-3H3;1-2H,(H,5,6)(H,7,8)/p-2/b;2-1-
C17H26N4O7S430.4771100

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