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 4 results

Search term: AAYIADJXSCBLCS (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4945418

Double-bond stereo

10 of 12 defined stereocentres - 10/12 defined
InChI=1/C38H54O10/c1-9-21(4)33-25(8)16-30(39)37(48-33)18-28-17-27(47-37)14-13-23(6)32(46-35(41)20(2)3)22(5)11-10-12-26-19-44-34-31(40)24(7)15-29(36(42)45-28)38(26,34)43/h9-13,15,20,22,25,27-34,39-40,43H,14,16-19H2,1-8H3/b11-10+,21-9+,23-13+,26-12+/t22-,25-,27+,28-,29?,30+,31+,32?,33+,34+,37-,38+/m0/s1
C38H54O10670.82944300
8006956

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C38H54O10/c1-9-21(4)33-25(8)16-30(39)37(48-33)18-28-17-27(47-37)14-13-23(6)32(46-35(41)20(2)3)22(5)11-10-12-26-19-44-34-31(40)24(7)15-29(36(42)45-28)38(26,34)43/h9-13,15,20,22,25,27-34,39-40,43H,14,16-19H2,1-8H3/b11-10+,21-9+,23-13+,26-12+/t22-,25-,27+,28-,29-,30+,31+,32-,33+,34+,37-,38+/m0/s1
C38H54O10670.82942100
57522539

Double-bond stereo

10 of 12 defined stereocentres - 10/12 defined
InChI=1/C38H54O10/c1-9-21(4)33-25(8)16-30(39)37(48-33)18-28-17-27(47-37)14-13-23(6)32(46-35(41)20(2)3)22(5)11-10-12-26-19-44-34-31(40)24(7)15-29(36(42)45-28)38(26,34)43/h9-13,15,20,22,25,27-34,39-40,43H,14,16-19H2,1-8H3/b11-10-,21-9+,23-13-,26-12-/t22-,25-,27+,28-,29?,30+,31+,32?,33+,34+,37-,38+/m0/s1
C38H54O10670.82942200
78438123

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C38H54O10/c1-9-21(4)33-25(8)16-30(39)37(48-33)18-28-17-27(47-37)14-13-23(6)32(46-35(41)20(2)3)22(5)11-10-12-26-19-44-34-31(40)24(7)15-29(36(42)45-28)38(26,34)43/h9-13,15,20,22,25,27-34,39-40,43H,14,16-19H2,1-8H3/b11-10+,21-9+,23-13+,26-12+/t22-,25-,27+,28-,29-,30+,31+,32+,33+,34+,37-,38+/m0/s1
C38H54O10670.82941100

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