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: MVRPKKZJGHVFOI (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9074421

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C5H6N2O3S/c8-4(9)2-1-3(11)7-5(10)6-2/h2H,1H2,(H,8,9)(H2,6,7,10,11)
C5H6N2O3S174.1777141200
2300872

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C5H6N2O3S/c8-4(9)2-1-3(11)7-5(10)6-2/h2H,1H2,(H,8,9)(H2,6,7,10,11)/t2-/m0/s1
C5H6N2O3S174.17774131000
8233564

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C5H6N2O3S/c8-4(9)2-1-3(11)7-5(10)6-2/h2H,1H2,(H,8,9)(H2,6,7,10,11)/t2-/m1/s1
C5H6N2O3S174.17772100
8662881

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H6N2O3S/c8-4(9)2-1-3(11)7-5(10)6-2/h2H,1H2,(H,8,9)(H2,6,7,10,11)/t2-/m0/s1/i1D/t1-,2+/m1
C5H5DN2O3S175.18392100
8830205

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C5H6N2O3S/c8-4(9)2-1-3(11)7-5(10)6-2/h2H,1H2,(H,8,9)(H2,6,7,10,11)/i1D2
C5H4D2N2O3S176.19012100
10504940

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H6N2O3S/c8-4(9)2-1-3(11)7-5(10)6-2/h2H,1H2,(H,8,9)(H2,6,7,10,11)/t2-/m0/s1/i1D/t1?,2-
C5H5DN2O3S175.18391100

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