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: LLPKQBJHBHLEIV (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4446882

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C28H46O3/c1-18(9-10-19(2)27(4,5)31)24-13-14-25-21(8-7-15-28(24,25)6)11-12-22-16-23(29)17-26(30)20(22)3/h11-12,18-19,23-26,29-31H,3,7-10,13-17H2,1-2,4-6H3/b21-11+,22-12-/t18-,19-,23-,24-,25+,26+,28-/m1/s1
C28H46O3430.6630400000015500
8021314

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C28H46O3/c1-18(9-10-19(2)27(4,5)31)24-13-14-25-21(8-7-15-28(24,25)6)11-12-22-16-23(29)17-26(30)20(22)3/h11-12,18-19,23-26,29-31H,3,7-10,13-17H2,1-2,4-6H3/b21-11+,22-12-/t18-,19+,23-,24-,25+,26+,28-/m1/s1
C28H46O3430.6632100
8269775

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C28H46O3/c1-18(9-10-19(2)27(4,5)31)24-13-14-25-21(8-7-15-28(24,25)6)11-12-22-16-23(29)17-26(30)20(22)3/h11-12,18-19,23-26,29-31H,3,7-10,13-17H2,1-2,4-6H3/b21-11+,22-12-/t18-,19+,23-,24-,25?,26+,28-/m1/s1
C28H46O3430.6632100
8313097

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C28H46O3/c1-18(9-10-19(2)27(4,5)31)24-13-14-25-21(8-7-15-28(24,25)6)11-12-22-16-23(29)17-26(30)20(22)3/h11-12,18-19,23-26,29-31H,3,7-10,13-17H2,1-2,4-6H3/b21-11-,22-12+/t18-,19-,23-,24-,25+,26+,28-/m1/s1
C28H46O3430.6632100
8608295

Double-bond stereo

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C28H46O3/c1-18(9-10-19(2)27(4,5)31)24-13-14-25-21(8-7-15-28(24,25)6)11-12-22-16-23(29)17-26(30)20(22)3/h11-12,18-19,23-26,29-31H,3,7-10,13-17H2,1-2,4-6H3/b21-11-,22-12+/t18-,19-,23-,24?,25?,26+,28-/m1/s1
C28H46O3430.6632100

Advertisement