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 2 results

Search term: LIMDDYYEZHEOIV (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10469754

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C36H43N5O5/c1-18(2)34(35(45)46)41-32(42)10-9-25-30-16-29-24(8-11-33(43)44)21(5)28(39-29)15-23-12-19(3)26(37-23)14-22-13-20(4)27(38-22)17-31(40-30)36(25,6)7/h12-18,25,34,38-39H,8-11H2,1-7H3,(H,41,42)(H,43,44)(H,45,46)/b22-14-,23-15-,26-14-,27-17-,28-15-,29-16-,30-16-,31-17-/t25-,34?/m0/s1
C36H43N5O5625.75712200
34981618

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C36H43N5O5/c1-18(2)34(35(45)46)41-32(42)10-9-25-30-16-29-24(8-11-33(43)44)21(5)28(39-29)15-23-12-19(3)26(37-23)14-22-13-20(4)27(38-22)17-31(40-30)36(25,6)7/h12-18,25,34,38-39H,8-11H2,1-7H3,(H,41,42)(H,43,44)(H,45,46)/b22-14+,23-15+,26-14+,27-17+,28-15+,29-16+,30-16+,31-17+/t25-,34?/m0/s1
C36H43N5O5625.75712200

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