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: DTPDUSBNMCFKKQ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
114511

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H38O8/c1-5-6-7-8-16-12-19(28)21(18-11-15(4)9-10-17(18)14(2)3)20(13-16)34-27-24(31)22(29)23(30)25(35-27)26(32)33/h11-13,17-18,22-25,27-31H,2,5-10H2,1,3-4H3,(H,32,33)/t17-,18+,22+,23+,24-,25+,27-/m1/s1
C27H38O8490.58584400
107441873

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H38O8/c1-5-6-7-8-16-12-19(28)21(18-11-15(4)9-10-17(18)14(2)3)20(13-16)34-27-24(31)22(29)23(30)25(35-27)26(32)33/h11-13,17-18,22-25,27-31H,2,5-10H2,1,3-4H3,(H,32,33)/t17-,18+,22+,23+,24-,25+,27+/m0/s1
C27H38O8490.58581100
107441987

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C27H38O8/c1-5-6-7-8-16-12-19(28)21(18-11-15(4)9-10-17(18)14(2)3)20(13-16)34-27-24(31)22(29)23(30)25(35-27)26(32)33/h11-13,17-18,22-25,27-31H,2,5-10H2,1,3-4H3,(H,32,33)/t17-,18+,22+,23+,24-,25+,27+/m0/s1/i1D3,5D2,6D2,7D2
C27H29D9O8499.64131100

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