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 10 results

Search term: UHIXWHUVLCAJQL (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
181045

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C20H16ClF2N5O2/c1-12(28-11-25-18-6-13(21)2-4-15(18)19(28)29)20(30,8-27-10-24-9-26-27)16-5-3-14(22)7-17(16)23/h2-7,9-12,30H,8H2,1H3/t12-,20-/m1/s1
C20H16ClF2N5O2431.8231495600
11668616

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C20H16ClF2N5O2/c1-12(28-11-25-18-6-13(21)2-4-15(18)19(28)29)20(30,8-27-10-24-9-26-27)16-5-3-14(22)7-17(16)23/h2-7,9-12,30H,8H2,1H3
C20H16ClF2N5O2431.8231141200
423299

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C20H16ClF2N5O2/c1-12(28-11-25-18-6-13(21)2-4-15(18)19(28)29)20(30,8-27-10-24-9-26-27)16-5-3-14(22)7-17(16)23/h2-7,9-12,30H,8H2,1H3/t12-,20+/m1/s1
C20H16ClF2N5O2431.82319500
423185

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C20H16ClF2N5O2/c1-12(28-11-25-18-6-13(21)2-4-15(18)19(28)29)20(30,8-27-10-24-9-26-27)16-5-3-14(22)7-17(16)23/h2-7,9-12,30H,8H2,1H3/t12-,20-/m0/s1
C20H16ClF2N5O2431.82318500
404922

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C20H16ClF2N5O2/c1-12(28-11-25-18-6-13(21)2-4-15(18)19(28)29)20(30,8-27-10-24-9-26-27)16-5-3-14(22)7-17(16)23/h2-7,9-12,30H,8H2,1H3/t12-,20+/m0/s1
C20H16ClF2N5O2431.82316600
58782069

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C20H16ClF2N5O2/c1-12(28-11-25-18-6-13(21)2-4-15(18)19(28)29)20(30,8-27-10-24-9-26-27)16-5-3-14(22)7-17(16)23/h2-7,9-12,30H,8H2,1H3/t12-,20-/m1/s1/i1D3
C20H13D3ClF2N5O2434.84165700
71354315

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C20H16ClF2N5O2/c1-12(28-11-25-18-6-13(21)2-4-15(18)19(28)29)20(30,8-27-10-24-9-26-27)16-5-3-14(22)7-17(16)23/h2-7,9-12,30H,8H2,1H3/t12-,20?/m1/s1
C20H16ClF2N5O2431.82314300
77451986

1 of 2 defined stereocentres - 1/2 defined

Non-standard isotope
InChI=1/C20H16ClF2N5O2/c1-12(28-11-25-18-6-13(21)2-4-15(18)19(28)29)20(30,8-27-10-24-9-26-27)16-5-3-14(22)7-17(16)23/h2-7,9-12,30H,8H2,1H3/t12-,20?/m1/s1/i1D3
C20H13D3ClF2N5O2434.84163300
76920162

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C20H16ClF2N5O2/c1-12(28-11-25-18-6-13(21)2-4-15(18)19(28)29)20(30,8-27-10-24-9-26-27)16-5-3-14(22)7-17(16)23/h2-7,9-12,30H,8H2,1H3/t12-,20+/m0/s1/i1D3
C20H13D3ClF2N5O2434.84161100
29786856

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C20H16ClF2N5O2/c1-12(28-11-25-18-6-13(21)2-4-15(18)19(28)29)20(30,8-27-10-24-9-26-27)16-5-3-14(22)7-17(16)23/h2-7,9-12,30H,8H2,1H3/t12?,20-/m1/s1
C20H16ClF2N5O2431.82311100

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