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 13 results

Search term: JTEGQNOMFQHVDC (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
54812


2 of 2 defined stereocentres - 2/2 defined
InChI=1/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7+/m0/s1
C8H11N3O3S229.2562134274549823
66068

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7+/m1/s1
C8H11N3O3S229.2562531271270224
3740

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)
C8H11N3O3S229.256248318500
389999

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7-/m1/s1
C8H11N3O3S229.2562203200
5022938

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7-/m0/s1
C8H11N3O3S229.2562171900
26943897

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6?,7-/m1/s1
C8H11N3O3S229.25628900
48060438

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7+/m0/s1/i8+1,10+1,11+1
C713CH11N15N2O3S232.23575500
48061253

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7-/m1/s1/i8+1,10+1,11+1
C713CH11N15N2O3S232.23575500
58782810

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7+/m0/s1/i3D2,8+1
C713CH9D2N3O3S232.26122200
74173793

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6?,7-/m0/s1
C8H11N3O3S229.25622200
82962809

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7+/m0/s1/i3D2
C8H9D2N3O3S231.26861100
58843291

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7?/m1/s1
C8H11N3O3S229.25621100
21234227

Charge

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/p+1/t6-,7-/m0/s1
C8H12N3O3S230.26361100

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