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 12 results

Search term: UFIVEPVSAGBUSI (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
388355

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C5H6N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h2H,1H2,(H,9,10)(H2,6,7,8,11)/t2-/m0/s1
C5H6N2O4158.112111023100
628

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C5H6N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h2H,1H2,(H,9,10)(H2,6,7,8,11)
C5H6N2O4158.112192245050
975383

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C5H6N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h2H,1H2,(H,9,10)(H2,6,7,8,11)/t2-/m1/s1
C5H6N2O4158.1121524700
4573876

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C5H6N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h2H,1H2,(H,9,10)(H2,6,7,8,11)/p-1/t2-/m0/s1
C5H5N2O4157.104781200
4574421

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C5H6N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h2H,1H2,(H,9,10)(H2,6,7,8,11)/p-1
C5H5N2O4157.1047632500
5341911

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C5H6N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h2H,1H2,(H,9,10)(H2,6,7,8,11)/p-1/t2-/m1/s1
C5H5N2O4157.10472100
8710360

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C5H6N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h2H,1H2,(H,9,10)(H2,6,7,8,11)/i1D2
C5H4D2N2O4160.12452100
8829858

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H6N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h2H,1H2,(H,9,10)(H2,6,7,8,11)/t2-/m0/s1/i1D/t1-,2+/m1
C5H5DN2O4159.11832100
57268522

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C5H6N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h2H,1H2,(H,9,10)(H2,6,7,8,11)/i5+2
C414CH6N2O4160.10472100
128918887

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H6N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h2H,1H2,(H,9,10)(H2,6,7,8,11)/t2-/m0/s1/i1D2,2D
C5H3D3N2O4161.13062700
10504939

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C5H6N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h2H,1H2,(H,9,10)(H2,6,7,8,11)/t2-/m0/s1/i1D/t1?,2-
C5H5DN2O4159.11831100

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