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: JDMCEGLQFSOMQH (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5363076

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C8H15NO3/c1-3-4-5-7(8(11)12)9-6(2)10/h7H,3-5H2,1-2H3,(H,9,10)(H,11,12)/t7-/m0/s1
C8H15NO3173.2096735000
270648

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C8H15NO3/c1-3-4-5-7(8(11)12)9-6(2)10/h7H,3-5H2,1-2H3,(H,9,10)(H,11,12)
C8H15NO3173.2096706611
5363073

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C8H15NO3/c1-3-4-5-7(8(11)12)9-6(2)10/h7H,3-5H2,1-2H3,(H,9,10)(H,11,12)/t7-/m1/s1
C8H15NO3173.2096373200
57267197

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C8H15NO3/c1-3-4-5-7(8(11)12)9-6(2)10/h7H,3-5H2,1-2H3,(H,9,10)(H,11,12)/i8+2
C714CH15NO3175.20212100
65791594

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C8H15NO3/c1-3-4-5-7(8(11)12)9-6(2)10/h7H,3-5H2,1-2H3,(H,9,10)(H,11,12)/t7-/m0/s1/i2D
C8H14DNO3174.21581100
5363075

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C8H15NO3/c1-3-4-5-7(8(11)12)9-6(2)10/h7H,3-5H2,1-2H3,(H,9,10)(H,11,12)/p-1/t7-/m0/s1
C8H14NO3172.20221100
5363072

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C8H15NO3/c1-3-4-5-7(8(11)12)9-6(2)10/h7H,3-5H2,1-2H3,(H,9,10)(H,11,12)/p-1/t7-/m1/s1
C8H14NO3172.20221100

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