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: PTNNCNNWQDJWHA (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
553458

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C16H18O5/c1-15-4-3-5-16(2)12(15)10(20-14(16)19)6-8-9(15)7-11(17)21-13(8)18/h6-7,10,12-13,18H,3-5H2,1-2H3/t10-,12-,13-,15-,16+/m1/s1
C16H18O5290.31117711
8036490

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C16H18O5/c1-15-4-3-5-16(2)12(15)10(20-14(16)19)6-8-9(15)7-11(17)21-13(8)18/h6-7,10,12-13,18H,3-5H2,1-2H3/t10-,12-,13+,15-,16+/m1/s1
C16H18O5290.31113200
9273388

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C16H18O5/c1-15-4-3-5-16(2)12(15)10(20-14(16)19)6-8-9(15)7-11(17)21-13(8)18/h6-7,10,12-13,18H,3-5H2,1-2H3/t10-,12-,13?,15-,16+/m1/s1
C16H18O5290.31112100
19427845

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C16H18O5/c1-15-4-3-5-16(2)12(15)10(20-14(16)19)6-8-9(15)7-11(17)21-13(8)18/h6-7,10,12-13,18H,3-5H2,1-2H3
C16H18O5290.31111100
30649858

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C16H18O5/c1-15-4-3-5-16(2)12(15)10(20-14(16)19)6-8-9(15)7-11(17)21-13(8)18/h6-7,10,12-13,18H,3-5H2,1-2H3/t10?,12?,13-,15-,16+/m1/s1
C16H18O5290.31111100

Advertisement