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: OCCKLFZPYIWUFJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
59000841

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C27H38O7/c1-23(2)14-11-13(28)19-20(24(14,3)9-7-16(23)29)21(32)22(33)26(5)15(12-17(30)27(19,26)6)25(4)10-8-18(31)34-25/h13-16,22,28-29,33H,7-12H2,1-6H3/t13-,14-,15+,16-,22+,24-,25-,26-,27-/m0/s1
C27H38O7474.5864111000
82826984

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C27H38O7/c1-23(2)14-11-13(28)19-20(24(14,3)9-7-16(23)29)21(32)22(33)26(5)15(12-17(30)27(19,26)6)25(4)10-8-18(31)34-25/h13-16,22,28-29,33H,7-12H2,1-6H3/t13-,14?,15+,16-,22+,24-,25+,26-,27-/m0/s1
C27H38O7474.58645400
128927329

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C27H38O7/c1-23(2)14-11-13(28)19-20(24(14,3)9-7-16(23)29)21(32)22(33)26(5)15(12-17(30)27(19,26)6)25(4)10-8-18(31)34-25/h13-16,22,28-29,33H,7-12H2,1-6H3
C27H38O7474.58644400
113609345

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C27H38O7/c1-23(2)14-11-13(28)19-20(24(14,3)9-7-16(23)29)21(32)22(33)26(5)15(12-17(30)27(19,26)6)25(4)10-8-18(31)34-25/h13-16,22,28-29,33H,7-12H2,1-6H3/t13-,14-,15+,16+,22-,24+,25+,26+,27+/m1/s1
C27H38O7474.58641100
114544867

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C27H38O7/c1-23(2)14-11-13(28)19-20(24(14,3)9-7-16(23)29)21(32)22(33)26(5)15(12-17(30)27(19,26)6)25(4)10-8-18(31)34-25/h13-16,22,28-29,33H,7-12H2,1-6H3/t13-,14?,15+,16-,22+,24-,25+,26-,27-/m1/s1
C27H38O7474.58641100
128910254

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C27H38O7/c1-23(2)14-11-13(28)19-20(24(14,3)9-7-16(23)29)21(32)22(33)26(5)15(12-17(30)27(19,26)6)25(4)10-8-18(31)34-25/h13-16,22,28-29,33H,7-12H2,1-6H3/t13-,14-,15?,16-,22+,24-,25-,26-,27-/m0/s1
C27H38O7474.58641100

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