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 11 results

Search term: BJUXDERNWYKSIQ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
96963

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H15NO3S/c1-9(14)13-11(12(15)16)8-17-7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,13,14)(H,15,16)/t11-/m0/s1
C12H15NO3S253.3174698663
487714

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C12H15NO3S/c1-9(14)13-11(12(15)16)8-17-7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,13,14)(H,15,16)
C12H15NO3S253.3174596511
746270

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H15NO3S/c1-9(14)13-11(12(15)16)8-17-7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,13,14)(H,15,16)/t11-/m1/s1
C12H15NO3S253.3174393001
23976847

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C12H15NO3S/c1-9(14)13-11(12(15)16)8-17-7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,13,14)(H,15,16)/t11-/m0/s1/i1D3
C12H12D3NO3S256.3359171200
60497997

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C12H15NO3S/c1-9(14)13-11(12(15)16)8-17-7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,13,14)(H,15,16)/t11-/m0/s1/i2D,3D,4D,5D,6D
C12H10D5NO3S258.34826900
103848880

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C12H15NO3S/c1-9(14)13-11(12(15)16)8-17-7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,13,14)(H,15,16)/t11-/m0/s1/i2+1,3+1,4+1,5+1,6+1,10+1
C613C6H15NO3S259.27333400
24533597

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C12H15NO3S/c1-9(14)13-11(12(15)16)8-17-7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,13,14)(H,15,16)/i2D,3D,4D,5D,6D
C12H10D5NO3S258.34823300
5323887

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H15NO3S/c1-9(14)13-11(12(15)16)8-17-7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,13,14)(H,15,16)/p-1/t11-/m0/s1
C12H14NO3S252.309462200
21426845

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C12H15NO3S/c1-9(14)13-11(12(15)16)8-17-7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,13,14)(H,15,16)/i8D2
C12H13D2NO3S255.32972300
5323888

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H15NO3S/c1-9(14)13-11(12(15)16)8-17-7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,13,14)(H,15,16)/p-1/t11-/m1/s1
C12H14NO3S252.309461100

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