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 5 results

Search term: XWBXANFRXWKOCS (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
21542694

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C8H13NO3/c1-5(2)4-7(8(11)12)9-6(3)10/h7H,1,4H2,2-3H3,(H,9,10)(H,11,12)
C8H13NO3171.1937553900
5382796

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C8H13NO3/c1-5(2)4-7(8(11)12)9-6(3)10/h7H,1,4H2,2-3H3,(H,9,10)(H,11,12)/t7-/m0/s1
C8H13NO3171.1937393300
5378805

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C8H13NO3/c1-5(2)4-7(8(11)12)9-6(3)10/h7H,1,4H2,2-3H3,(H,9,10)(H,11,12)/t7-/m1/s1
C8H13NO3171.19373200
5382795

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C8H13NO3/c1-5(2)4-7(8(11)12)9-6(3)10/h7H,1,4H2,2-3H3,(H,9,10)(H,11,12)/p-1/t7-/m0/s1
C8H12NO3170.18631100
5378804

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C8H13NO3/c1-5(2)4-7(8(11)12)9-6(3)10/h7H,1,4H2,2-3H3,(H,9,10)(H,11,12)/p-1/t7-/m1/s1
C8H12NO3170.18631100

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