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: VFQLNJQAASSPQR (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
169959

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C28H42O8/c1-26-8-5-17(35-25-24(32)23(31)21(13-29)36-25)12-16(26)3-4-20-19(26)6-9-27(2)18(7-10-28(20,27)33)15-11-22(30)34-14-15/h11,16-21,23-25,29,31-33H,3-10,12-14H2,1-2H3/t16-,17+,18-,19+,20-,21+,23+,24-,25-,26+,27-,28?/m1/s1
C28H42O8506.62833300
31130406

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C28H42O8/c1-26-8-5-17(35-25-24(32)23(31)21(13-29)36-25)12-16(26)3-4-20-19(26)6-9-27(2)18(7-10-28(20,27)33)15-11-22(30)34-14-15/h11,16-21,23-25,29,31-33H,3-10,12-14H2,1-2H3/t16-,17-,18+,19-,20+,21+,23+,24+,25+,26-,27+,28+/m0/s1
C28H42O8506.62832200
19994208

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C28H42O8/c1-26-8-5-17(35-25-24(32)23(31)21(13-29)36-25)12-16(26)3-4-20-19(26)6-9-27(2)18(7-10-28(20,27)33)15-11-22(30)34-14-15/h11,16-21,23-25,29,31-33H,3-10,12-14H2,1-2H3/t16-,17+,18-,19+,20-,21+,23+,24-,25-,26+,27-,28+/m1/s1
C28H42O8506.62831100

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