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 8 results

Search term: RBNPOMFGQQGHHO (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
732

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C3H6O4/c4-1-2(5)3(6)7/h2,4-5H,1H2,(H,6,7)
C3H6O4106.0773112232159404
4885497

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C3H6O4/c4-1-2(5)3(6)7/h2,4-5H,1H2,(H,6,7)/t2-/m0/s1
C3H6O4106.0773545100
388334

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C3H6O4/c4-1-2(5)3(6)7/h2,4-5H,1H2,(H,6,7)/t2-/m1/s1
C3H6O4106.07733814500
4573914

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C3H6O4/c4-1-2(5)3(6)7/h2,4-5H,1H2,(H,6,7)/p-1/t2-/m1/s1
C3H5O4105.06999800
3833122

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C3H6O4/c4-1-2(5)3(6)7/h2,4-5H,1H2,(H,6,7)/p-1
C3H5O4105.06997144749213
5367472

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C3H6O4/c4-1-2(5)3(6)7/h2,4-5H,1H2,(H,6,7)/p-1/t2-/m0/s1
C3H5O4105.06992111
8829538

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C3H6O4/c4-1-2(5)3(6)7/h2,4-5H,1H2,(H,6,7)/i2+1,3+1
C13C2H6O4108.06262100
9063118

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C3H6O4/c4-1-2(5)3(6)7/h2,4-5H,1H2,(H,6,7)/i1D2,2+1D,3+1
C13C2H3D3O4111.08112100

Advertisement