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 6 results

Search term: TYAFBMTZMSJDIO (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
28424312

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C28H46O3/c1-16(2)17(3)7-8-18(4)26-24(31)15-22-25-21(10-12-28(22,26)6)27(5)11-9-20(29)13-19(27)14-23(25)30/h14,16,18,20-26,29-31H,3,7-13,15H2,1-2,4-6H3/t18-,20+,21+,22+,23-,24+,25-,26+,27+,28+/m1/s1
C28H46O3430.663211600
29216399

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C28H46O3/c1-16(2)17(3)7-8-18(4)26-24(31)15-22-25-21(10-12-28(22,26)6)27(5)11-9-20(29)13-19(27)14-23(25)30/h14,16,18,20-26,29-31H,3,7-13,15H2,1-2,4-6H3/t18-,20+,21+,22+,23+,24+,25-,26+,27+,28+/m1/s1
C28H46O3430.6632200
82964145

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C28H46O3/c1-16(2)17(3)7-8-18(4)26-24(31)15-22-25-21(10-12-28(22,26)6)27(5)11-9-20(29)13-19(27)14-23(25)30/h14,16,18,20-26,29-31H,3,7-13,15H2,1-2,4-6H3/t18-,20+,21+,22+,23-,24+,25-,26+,27+,28+/m0/s1
C28H46O3430.6632100
113611412

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C28H46O3/c1-16(2)17(3)7-8-18(4)26-24(31)15-22-25-21(10-12-28(22,26)6)27(5)11-9-20(29)13-19(27)14-23(25)30/h14,16,18,20-26,29-31H,3,7-13,15H2,1-2,4-6H3/t18-,20+,21+,22+,23-,24+,25+,26+,27+,28-/m1/s1
C28H46O3430.6631100
115015588

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C28H46O3/c1-16(2)17(3)7-8-18(4)26-24(31)15-22-25-21(10-12-28(22,26)6)27(5)11-9-20(29)13-19(27)14-23(25)30/h14,16,18,20-26,29-31H,3,7-13,15H2,1-2,4-6H3/t18-,20+,21+,22+,23-,24+,25?,26+,27+,28+/m1/s1
C28H46O3430.6631100

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