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 7 results

Search term: NMRPBPVERJPACX (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
11043

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3
C8H18O130.2279113235171156
5366557

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3/t8-/m0/s1
C8H18O130.2279332700
393325

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3/t8-/m1/s1
C8H18O130.2279242300
8594648

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3/i2D
C8H17DO131.23412100
8734049

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3/t8-/m0/s1/i7D/t7-,8+/m1
C8H17DO131.23412100
20576429

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3/t8-/m0/s1/i4D2,7D2
C8H14D4O134.25261100
20576430

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3/t8-/m1/s1/i4D2,7D2
C8H14D4O134.25261100

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