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: WYALGIWVJKDMAS (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
33823831

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C29H42O5/c1-16-6-11-28-13-12-27(5)26(4)10-7-17-24(2,9-8-19(31)25(17,3)15-30)21(26)20-22(33-20)29(27,18(28)14-16)34-23(28)32/h17-22,30-31H,1,6-15H2,2-5H3/t17-,18-,19+,20+,21-,22+,24+,25+,26-,27+,28+,29-/m1/s1
C29H42O5470.6408121000
82966132

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C29H42O5/c1-16-6-11-28-13-12-27(5)26(4)10-7-17-24(2,9-8-19(31)25(17,3)15-30)21(26)20-22(33-20)29(27,18(28)14-16)34-23(28)32/h17-22,30-31H,1,6-15H2,2-5H3/t17-,18-,19+,20+,21-,22+,24+,25+,26-,27+,28+,29-/m0/s1
C29H42O5470.64081100
113610302

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C29H42O5/c1-16-6-11-28-13-12-27(5)26(4)10-7-17-24(2,9-8-19(31)25(17,3)15-30)21(26)20-22(33-20)29(27,18(28)14-16)34-23(28)32/h17-22,30-31H,1,6-15H2,2-5H3/t17-,18+,19-,20+,21+,22+,24-,25-,26+,27-,28-,29-/m0/s1
C29H42O5470.64081100
114936826

0 of 12 defined stereocentres - 0/12 defined
InChI=1/C29H42O5/c1-16-6-11-28-13-12-27(5)26(4)10-7-17-24(2,9-8-19(31)25(17,3)15-30)21(26)20-22(33-20)29(27,18(28)14-16)34-23(28)32/h17-22,30-31H,1,6-15H2,2-5H3
C29H42O5470.64081100
114973882

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C29H42O5/c1-16-6-11-28-13-12-27(5)26(4)10-7-17-24(2,9-8-19(31)25(17,3)15-30)21(26)20-22(33-20)29(27,18(28)14-16)34-23(28)32/h17-22,30-31H,1,6-15H2,2-5H3/t17-,18-,19+,20+,21-,22+,24+,25+,26-,27+,28?,29-/m1/s1
C29H42O5470.64081100
129310685

9 of 12 defined stereocentres - 9/12 defined
InChI=1/C29H42O5/c1-16-6-11-28-13-12-27(5)26(4)10-7-17-24(2,9-8-19(31)25(17,3)15-30)21(26)20-22(33-20)29(27,18(28)14-16)34-23(28)32/h17-22,30-31H,1,6-15H2,2-5H3/t17-,18-,19?,20?,21-,22?,24-,25-,26+,27-,28-,29+/m0/s1
C29H42O5470.64081100

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