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: WOQOUHHNXXRZJE (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9845586

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C28H40O9/c1-14-12-21-23-15(2)13-22(34-17(4)30)25(27(7,8)36-18(5)31)24(23)26(35-21)28(9,37-19(6)32)11-10-20(14)33-16(3)29/h13,20-26H,1,10-12H2,2-9H3/t20-,21+,22+,23+,24-,25-,26+,28+/m0/s1
C28H40O9520.61185400
23339361

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C28H40O9/c1-14-12-21-23-15(2)13-22(34-17(4)30)25(27(7,8)36-18(5)31)24(23)26(35-21)28(9,37-19(6)32)11-10-20(14)33-16(3)29/h13,20-26H,1,10-12H2,2-9H3/t20-,21-,22+,23+,24-,25-,26-,28+/m0/s1
C28H40O9520.61182200
8273717

4 of 8 defined stereocentres - 4/8 defined
InChI=1/C28H40O9/c1-14-12-21-23-15(2)13-22(34-17(4)30)25(27(7,8)36-18(5)31)24(23)26(35-21)28(9,37-19(6)32)11-10-20(14)33-16(3)29/h13,20-26H,1,10-12H2,2-9H3/t20?,21-,22+,23?,24?,25?,26-,28+/m0/s1
C28H40O9520.61182100

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