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: PNFGTQKWBFGTMM (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2594051

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C16H27NO4S/c1-11-8-17(9-12(2)21-11)22(19,20)10-16-6-5-13(7-14(16)18)15(16,3)4/h11-13H,5-10H2,1-4H3
C16H27NO4S329.454916600
5031846

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C16H27NO4S/c1-11-8-17(9-12(2)21-11)22(19,20)10-16-6-5-13(7-14(16)18)15(16,3)4/h11-13H,5-10H2,1-4H3/t11-,12-,13-,16+/m0/s1
C16H27NO4S329.45492100
5502824

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C16H27NO4S/c1-11-8-17(9-12(2)21-11)22(19,20)10-16-6-5-13(7-14(16)18)15(16,3)4/h11-13H,5-10H2,1-4H3/t11-,12-,13+,16-/m1/s1
C16H27NO4S329.45492100
1602170

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C16H27NO4S/c1-11-8-17(9-12(2)21-11)22(19,20)10-16-6-5-13(7-14(16)18)15(16,3)4/h11-13H,5-10H2,1-4H3/t11-,12+,13-,16+/m0/s1
C16H27NO4S329.45492100
77925965

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C16H27NO4S/c1-11-8-17(9-12(2)21-11)22(19,20)10-16-6-5-13(7-14(16)18)15(16,3)4/h11-13H,5-10H2,1-4H3/t11-,12+,13?,16?
C16H27NO4S329.45491100

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