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: BJSFYXGNTILBOB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2032908

4 of 9 defined stereocentres - 4/9 defined
InChI=1/C27H38O8/c1-13-21(30)27-19-11-17-23(4,5)10-9-18(33-15(3)29)25(17,8)20(27)16(32-14(2)28)12-26(13,31)22(27)35-24(6,7)34-19/h16-20,22,31H,1,9-12H2,2-8H3/t16?,17?,18-,19-,20?,22?,25+,26-,27?/m1/s1
C27H38O8490.585826400
3754345

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C27H38O8/c1-13-21(30)27-19-11-17-23(4,5)10-9-18(33-15(3)29)25(17,8)20(27)16(32-14(2)28)12-26(13,31)22(27)35-24(6,7)34-19/h16-20,22,31H,1,9-12H2,2-8H3
C27H38O8490.585823200
5499089

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C27H38O8/c1-13-21(30)27-19-11-17-23(4,5)10-9-18(33-15(3)29)25(17,8)20(27)16(32-14(2)28)12-26(13,31)22(27)35-24(6,7)34-19/h16-20,22,31H,1,9-12H2,2-8H3/t16-,17-,18-,19-,20+,22-,25+,26-,27-/m1/s1
C27H38O8490.58582100
5499090

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C27H38O8/c1-13-21(30)27-19-11-17-23(4,5)10-9-18(33-15(3)29)25(17,8)20(27)16(32-14(2)28)12-26(13,31)22(27)35-24(6,7)34-19/h16-20,22,31H,1,9-12H2,2-8H3/t16-,17+,18-,19-,20+,22-,25+,26-,27-/m1/s1
C27H38O8490.58582100
5499091

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C27H38O8/c1-13-21(30)27-19-11-17-23(4,5)10-9-18(33-15(3)29)25(17,8)20(27)16(32-14(2)28)12-26(13,31)22(27)35-24(6,7)34-19/h16-20,22,31H,1,9-12H2,2-8H3/t16-,17-,18-,19-,20-,22-,25+,26-,27-/m1/s1
C27H38O8490.58582100
5499092

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C27H38O8/c1-13-21(30)27-19-11-17-23(4,5)10-9-18(33-15(3)29)25(17,8)20(27)16(32-14(2)28)12-26(13,31)22(27)35-24(6,7)34-19/h16-20,22,31H,1,9-12H2,2-8H3/t16-,17+,18-,19-,20-,22-,25+,26-,27-/m1/s1
C27H38O8490.58582100

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