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 3 results

Search term: CEKQDKPRHPTBAV (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
12281382

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C30H28N4O4/c1-18-12-21(14-22-13-19(2)38-28(18)22)27-23(17-34(32-27)24-8-5-4-6-9-24)15-25-20(3)26(16-31)30(37)33(29(25)36)10-7-11-35/h4-6,8-9,12,14-15,17,19,35H,7,10-11,13H2,1-3H3/b25-15+
C30H28N4O4508.5677141100
62621244

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C30H28N4O4/c1-18-12-21(14-22-13-19(2)38-28(18)22)27-23(17-34(32-27)24-8-5-4-6-9-24)15-25-20(3)26(16-31)30(37)33(29(25)36)10-7-11-35/h4-6,8-9,12,14-15,17,19,35H,7,10-11,13H2,1-3H3/b25-15+/t19-/m1/s1
C30H28N4O4508.56772200
35379697

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C30H28N4O4/c1-18-12-21(14-22-13-19(2)38-28(18)22)27-23(17-34(32-27)24-8-5-4-6-9-24)15-25-20(3)26(16-31)30(37)33(29(25)36)10-7-11-35/h4-6,8-9,12,14-15,17,19,35H,7,10-11,13H2,1-3H3
C30H28N4O4508.56771100

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