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 7 results

Search term: LJJKNPQAGWVLDQ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3020

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,16)(H,14,15)
C12H15NO3S253.31748255300
3571959

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,16)(H,14,15)/t10-/m1/s1
C12H15NO3S253.3174161400
58793429

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,16)(H,14,15)/i1D,2D,3D,4D,5D
C12H10D5NO3S258.3482101000
5415705

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,16)(H,14,15)/t10-/m0/s1
C12H15NO3S253.31749800
48063374

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,16)(H,14,15)/i1D,2D,3D,4D,5D,6D2
C12H8D7NO3S260.36057900
5415706

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,16)(H,14,15)/p-1/t10-/m1/s1
C12H14NO3S252.312100
5415704

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,16)(H,14,15)/p-1/t10-/m0/s1
C12H14NO3S252.311100

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