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: QXXOOFQUSPEKGT (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2996786

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C12H14N2O5S/c1-20-6-5-10(12(16)17)13-11(15)8-3-2-4-9(7-8)14(18)19/h2-4,7,10H,5-6H2,1H3,(H,13,15)(H,16,17)
C12H14N2O5S298.31496372800
5419151

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H14N2O5S/c1-20-6-5-10(12(16)17)13-11(15)8-3-2-4-9(7-8)14(18)19/h2-4,7,10H,5-6H2,1H3,(H,13,15)(H,16,17)/t10-/m0/s1
C12H14N2O5S298.3153200
5419153

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H14N2O5S/c1-20-6-5-10(12(16)17)13-11(15)8-3-2-4-9(7-8)14(18)19/h2-4,7,10H,5-6H2,1H3,(H,13,15)(H,16,17)/t10-/m1/s1
C12H14N2O5S298.3153200
5419152

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H14N2O5S/c1-20-6-5-10(12(16)17)13-11(15)8-3-2-4-9(7-8)14(18)19/h2-4,7,10H,5-6H2,1H3,(H,13,15)(H,16,17)/p-1/t10-/m1/s1
C12H13N2O5S297.30761100
5419150

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H14N2O5S/c1-20-6-5-10(12(16)17)13-11(15)8-3-2-4-9(7-8)14(18)19/h2-4,7,10H,5-6H2,1H3,(H,13,15)(H,16,17)/p-1/t10-/m0/s1
C12H13N2O5S297.30761100

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