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 8 results

Search term: JXSJBGJIGXNWCI (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3864


0 of 1 defined stereocentres - 0/1 defined
InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3
C10H19O6PS2330.35811717952251297
24532687

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3/i1D3,2D3,5D2,6D2
C10H9D10O6PS2340.4196162800
9068129

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3/t8-/m0/s1
C10H19O6PS2330.358131200
23936494

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3/i3D3,4D3
C10H13D6O6PS2336.39591400
34994364

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3/t8-/m1/s1
C10H19O6PS2330.3586600
68023218

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3/i7+2,8+2
C814C2H19O6PS2334.34315500
35147873

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3/i3D3,4D3,7D
C10H12D7O6PS2337.40122300
24532686

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3/i3D3,4D3,8D
C10H12D7O6PS2337.40122100

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