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: PNFVIPIQXAIUAY (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
295542

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C9H17NO4/c1-5-6(7(11)12)10-8(13)14-9(2,3)4/h6H,5H2,1-4H3,(H,10,13)(H,11,12)
C9H17NO4203.2356897903
2036701

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C9H17NO4/c1-5-6(7(11)12)10-8(13)14-9(2,3)4/h6H,5H2,1-4H3,(H,10,13)(H,11,12)/t6-/m0/s1
C9H17NO4203.23558886200
2036703

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C9H17NO4/c1-5-6(7(11)12)10-8(13)14-9(2,3)4/h6H,5H2,1-4H3,(H,10,13)(H,11,12)/t6-/m1/s1
C9H17NO4203.23558744900
5360711

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C9H17NO4/c1-5-6(7(11)12)10-8(13)14-9(2,3)4/h6H,5H2,1-4H3,(H,10,13)(H,11,12)/p-1/t6-/m1/s1
C9H16NO4202.22821100
5373182

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C9H17NO4/c1-5-6(7(11)12)10-8(13)14-9(2,3)4/h6H,5H2,1-4H3,(H,10,13)(H,11,12)/p-1/t6-/m0/s1
C9H16NO4202.22821100

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