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 5 results

Search term: NGXJXKFUFXNTDC (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2413336

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C12H15N3O2S/c1-5-7(3)18-11-9(5)10(14-8(4)15-11)13-6(2)12(16)17/h6H,1-4H3,(H,16,17)(H,13,14,15)
C12H15N3O2S265.3314352000
5511963

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H15N3O2S/c1-5-7(3)18-11-9(5)10(14-8(4)15-11)13-6(2)12(16)17/h6H,1-4H3,(H,16,17)(H,13,14,15)/t6-/m0/s1
C12H15N3O2S265.33146600
5511965

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H15N3O2S/c1-5-7(3)18-11-9(5)10(14-8(4)15-11)13-6(2)12(16)17/h6H,1-4H3,(H,16,17)(H,13,14,15)/t6-/m1/s1
C12H15N3O2S265.33146600
5511964

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H15N3O2S/c1-5-7(3)18-11-9(5)10(14-8(4)15-11)13-6(2)12(16)17/h6H,1-4H3,(H,16,17)(H,13,14,15)/p-1/t6-/m1/s1
C12H14N3O2S264.3241100
5511962

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H15N3O2S/c1-5-7(3)18-11-9(5)10(14-8(4)15-11)13-6(2)12(16)17/h6H,1-4H3,(H,16,17)(H,13,14,15)/p-1/t6-/m0/s1
C12H14N3O2S264.3241100

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