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 6 results

Search term: FKKZRYVWMJRWNI (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
548570

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C16H20N2O5S/c1-10(19)15(16(20)21)17-24(22,23)14-9-5-6-11-12(14)7-4-8-13(11)18(2)3/h4-10,15,17,19H,1-3H3,(H,20,21)
C16H20N2O5S352.4054232300
57569050

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H20N2O5S/c1-10(19)15(16(20)21)17-24(22,23)14-9-5-6-11-12(14)7-4-8-13(11)18(2)3/h4-10,15,17,19H,1-3H3,(H,20,21)/t10-,15+/m1/s1
C16H20N2O5S352.40543200
8697915

1 of 2 defined stereocentres - 1/2 defined

Non-standard isotope
InChI=1/C16H20N2O5S/c1-10(19)15(16(20)21)17-24(22,23)14-9-5-6-11-12(14)7-4-8-13(11)18(2)3/h4-10,15,17,19H,1-3H3,(H,20,21)/t10?,15-/m1/s1/i1+2,10+2,15+2,16+2
C1214C4H20N2O5S360.37562100
8745886

1 of 2 defined stereocentres - 1/2 defined

Non-standard isotope
InChI=1/C16H20N2O5S/c1-10(19)15(16(20)21)17-24(22,23)14-9-5-6-11-12(14)7-4-8-13(11)18(2)3/h4-10,15,17,19H,1-3H3,(H,20,21)/t10?,15-/m0/s1/i1+2,10+2,15+2,16+2
C1214C4H20N2O5S360.37562100
20055814

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C16H20N2O5S/c1-10(19)15(16(20)21)17-24(22,23)14-9-5-6-11-12(14)7-4-8-13(11)18(2)3/h4-10,15,17,19H,1-3H3,(H,20,21)/t10?,15-/m0/s1
C16H20N2O5S352.40541200
78360544

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C16H20N2O5S/c1-10(19)15(16(20)21)17-24(22,23)14-9-5-6-11-12(14)7-4-8-13(11)18(2)3/h4-10,15,17,19H,1-3H3,(H,20,21)/t10?,15-/m1/s1
C16H20N2O5S352.40541100

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