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 10 results

Search term: QEFRNWWLZKMPFJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
824

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
C5H11NO3S165.210711014801
139840

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10?/m0/s1
C5H11NO3S165.21078059200
130911

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10?/m1/s1
C5H11NO3S165.2107313500
8238279

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10+/m0/s1
C5H11NO3S165.2107235100
9085165

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10-/m0/s1
C5H11NO3S165.2107204800
7851532

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10+/m1/s1
C5H11NO3S165.2107121300
10004434

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10-/m1/s1
C5H11NO3S165.21077700
107448309

1 of 2 defined stereocentres - 1/2 defined

Non-standard isotope
InChI=1/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10?/m0/s1/i1+1
C413CH11NO3S166.20341100
111310773

1 of 2 defined stereocentres - 1/2 defined

Non-standard isotope
InChI=1/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10?/m1/s1/i1+1
C413CH11NO3S166.20341100
8238278

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/p-1/t4-,10+/m0/s1
C5H10NO3S164.20331100

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