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 4 results

Search term: NKNGMQYKBKVDKI (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4589162

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C17H17NO5/c1-18-7-6-16-11-8-2-3-9(19)13(11)23-15(16)10(20)4-5-17(16,22)14(18)12(8)21/h2-3,14-15,19,22H,4-7H2,1H3/t14-,15+,16+,17-/m1/s1
C17H17NO5315.3206111200
23242796

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C17H17NO5/c1-18-7-6-16-11-8-2-3-9(19)13(11)23-15(16)10(20)4-5-17(16,22)14(18)12(8)21/h2-3,14-15,19,22H,4-7H2,1H3/t14?,15-,16?,17+/m0/s1
C17H17NO5315.32062200
29787761

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C17H17NO5/c1-18-7-6-16-11-8-2-3-9(19)13(11)23-15(16)10(20)4-5-17(16,22)14(18)12(8)21/h2-3,14-15,19,22H,4-7H2,1H3/t14-,15?,16+,17-/m1/s1
C17H17NO5315.32061100

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