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 5 results

Search term: IFFKOSSIDVBUOW (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10389023

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C40H47NO9/c1-21-11-9-8-10-12-24(4)40(50)41-30-19-33(45)34-29(39(30)49)18-27(7)38(48)35(34)37(47)26(6)17-25(5)36(46)23(3)14-16-28(42)15-13-22(2)32(44)20-31(21)43/h8-14,16-19,21,23,25,28,31,36,42-43,46,48H,15,20H2,1-7H3,(H,41,50)/b10-8-,11-9+,16-14+,22-13+,24-12-,26-17+/t21-,23-,25-,28-,31-,36-/m0/s1
C40H47NO9685.80256402
77431472

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C40H47NO9/c1-21-11-9-8-10-12-24(4)40(50)41-30-19-33(45)34-29(39(30)49)18-27(7)38(48)35(34)37(47)26(6)17-25(5)36(46)23(3)14-16-28(42)15-13-22(2)32(44)20-31(21)43/h8-14,16-19,21,23,25,28,31,36,42-43,46,48H,15,20H2,1-7H3,(H,41,50)/b10-8-,11-9-,16-14-,22-13-,24-12-,26-17-/t21-,23-,25-,28-,31-,36-/m0/s1
C40H47NO9685.80252200
79715914

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C40H47NO9/c1-21-11-9-8-10-12-24(4)40(50)41-30-19-33(45)34-29(39(30)49)18-27(7)38(48)35(34)37(47)26(6)17-25(5)36(46)23(3)14-16-28(42)15-13-22(2)32(44)20-31(21)43/h8-14,16-19,21,23,25,28,31,36,42-43,46,48H,15,20H2,1-7H3,(H,41,50)/b10-8-,11-9-,16-14-,22-13-,24-12-,26-17-/t21-,23-,25-,28?,31-,36-/m0/s1
C40H47NO9685.80251100
68026499

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C40H47NO9/c1-21-11-9-8-10-12-24(4)40(50)41-30-19-33(45)34-29(39(30)49)18-27(7)38(48)35(34)37(47)26(6)17-25(5)36(46)23(3)14-16-28(42)15-13-22(2)32(44)20-31(21)43/h8-14,16-19,21,23,25,28,31,36,42-43,46,48H,15,20H2,1-7H3,(H,41,50)/b10-8-,11-9-,16-14-,22-13-,24-12-,26-17-/t21-,23-,25+,28+,31+,36+/m0/s1
C40H47NO9685.80251100

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