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 6 results

Search term: PPFRJEXUPZWQPI (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
260755

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C12H15NO3S/c1-17-8-7-10(12(15)16)13-11(14)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,13,14)(H,15,16)
C12H15NO3S253.3174788002
89212

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H15NO3S/c1-17-8-7-10(12(15)16)13-11(14)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,13,14)(H,15,16)/t10-/m0/s1
C12H15NO3S253.3174533715
1279055

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H15NO3S/c1-17-8-7-10(12(15)16)13-11(14)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,13,14)(H,15,16)/t10-/m1/s1
C12H15NO3S253.317410700
3813146

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C12H15NO3S/c1-17-8-7-10(12(15)16)13-11(14)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,13,14)(H,15,16)/p-1
C12H14NO3S252.311100
1266961

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H15NO3S/c1-17-8-7-10(12(15)16)13-11(14)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,13,14)(H,15,16)/p-1/t10-/m0/s1
C12H14NO3S252.311100
1279054

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H15NO3S/c1-17-8-7-10(12(15)16)13-11(14)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,13,14)(H,15,16)/p-1/t10-/m1/s1
C12H14NO3S252.311100

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