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 15 results

Search term: LXRUAYBIUSUULX (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
829

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C5H9NO4/c1-2(4(7)8)3(6)5(9)10/h2-3H,6H2,1H3,(H,7,8)(H,9,10)
C5H9NO4147.1293727716157
389071

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C5H9NO4/c1-2(4(7)8)3(6)5(9)10/h2-3H,6H2,1H3,(H,7,8)(H,9,10)/t2-,3-/m0/s1
C5H9NO4147.1293374100
133141

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C5H9NO4/c1-2(4(7)8)3(6)5(9)10/h2-3H,6H2,1H3,(H,7,8)(H,9,10)/t2?,3-/m0/s1
C5H9NO4147.1293322507
28536694

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C5H9NO4/c1-2(4(7)8)3(6)5(9)10/h2-3H,6H2,1H3,(H,7,8)(H,9,10)/t2?,3-/m1/s1
C5H9NO4147.129324800
4449932

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C5H9NO4/c1-2(4(7)8)3(6)5(9)10/h2-3H,6H2,1H3,(H,7,8)(H,9,10)/t2-,3+/m0/s1
C5H9NO4147.12926222100
8594758

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C5H9NO4/c1-2(4(7)8)3(6)5(9)10/h2-3H,6H2,1H3,(H,7,8)(H,9,10)/t2-,3+/m1/s1
C5H9NO4147.1293191600
5256732

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C5H9NO4/c1-2(4(7)8)3(6)5(9)10/h2-3H,6H2,1H3,(H,7,8)(H,9,10)/p-2/t2-,3-/m0/s1
C5H7NO4145.11453300
32809769

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C5H9NO4/c1-2(4(7)8)3(6)5(9)10/h2-3H,6H2,1H3,(H,7,8)(H,9,10)/t2-,3-/m1/s1
C5H9NO4147.12933200
32982117

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C5H9NO4/c1-2(4(7)8)3(6)5(9)10/h2-3H,6H2,1H3,(H,7,8)(H,9,10)/t2-,3?/m1/s1
C5H9NO4147.12933300
9632603

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C5H9NO4/c1-2(4(7)8)3(6)5(9)10/h2-3H,6H2,1H3,(H,7,8)(H,9,10)/t2-,3-/m0/s1/i1+1
C413CH9NO4148.12192200
19951436

Charge

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C5H9NO4/c1-2(4(7)8)3(6)5(9)10/h2-3H,6H2,1H3,(H,7,8)(H,9,10)/p-2
C5H7NO4145.1145273317
25941872

Charge

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C5H9NO4/c1-2(4(7)8)3(6)5(9)10/h2-3H,6H2,1H3,(H,7,8)(H,9,10)/p-2/t2?,3-/m0/s1
C5H7NO4145.114511144
26331324

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C5H9NO4/c1-2(4(7)8)3(6)5(9)10/h2-3H,6H2,1H3,(H,7,8)(H,9,10)/p-1/t2-,3-/m0/s1
C5H8NO4146.12191100
10299815

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C5H9NO4/c1-2(4(7)8)3(6)5(9)10/h2-3H,6H2,1H3,(H,7,8)(H,9,10)/p-1/t2-,3+/m1/s1
C5H8NO4146.12191100

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