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: HSDLNPMYTYMYLO (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
118420

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C20H27N7O6/c21-20-26-16-15(18(31)27-20)24-12(9-23-16)7-8-22-11-3-1-10(2-4-11)17(30)25-13(19(32)33)5-6-14(28)29/h9-11,13,22H,1-8H2,(H,25,30)(H,28,29)(H,32,33)(H3,21,23,26,27,31)/t10?,11?,13-/m0/s1
C20H27N7O6461.47175500
88297671

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C20H27N7O6/c21-20-26-16-15(18(31)27-20)24-12(9-23-16)7-8-22-11-3-1-10(2-4-11)17(30)25-13(19(32)33)5-6-14(28)29/h9-11,13,22H,1-8H2,(H,25,30)(H,28,29)(H,32,33)(H3,21,23,26,27,31)/t10-,11+,13-/m0/s1
C20H27N7O6461.47175400
23126594

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C20H27N7O6/c21-20-26-16-15(18(31)27-20)24-12(9-23-16)7-8-22-11-3-1-10(2-4-11)17(30)25-13(19(32)33)5-6-14(28)29/h9-11,13,22H,1-8H2,(H,25,30)(H,28,29)(H,32,33)(H3,21,23,26,27,31)/t10-,11+,13?
C20H27N7O6461.47173300
57971917

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C20H27N7O6/c21-20-26-16-15(18(31)27-20)24-12(9-23-16)7-8-22-11-3-1-10(2-4-11)17(30)25-13(19(32)33)5-6-14(28)29/h9-11,13,22H,1-8H2,(H,25,30)(H,28,29)(H,32,33)(H3,21,23,26,27,31)
C20H27N7O6461.47173200

Advertisement