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 3 results

Search term: XCIMMEILEFDKKX (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8923015

Double-bond stereo

21 of 22 defined stereocentres - 21/22 defined
InChI=1/C39H66O14/c1-18(20(3)15-50-35-33(31(47)26(44)16-51-35)53-36-32(49-6)30(46)25(43)17-52-36)7-8-19(2)21-13-23(41)34-37(21,4)12-10-27-38(5)11-9-22(40)29(45)28(38)24(42)14-39(27,34)48/h7-8,18-36,40-48H,9-17H2,1-6H3/b8-7+/t18-,19-,20-,21-,22+,23-,24+,25-,26-,27-,28?,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39+/m1/s1
C39H66O14758.93292100
23327013

Double-bond stereo

22 of 22 defined stereocentres - 22/22 defined
InChI=1/C39H66O14/c1-18(20(3)15-50-35-33(31(47)26(44)16-51-35)53-36-32(49-6)30(46)25(43)17-52-36)7-8-19(2)21-13-23(41)34-37(21,4)12-10-27-38(5)11-9-22(40)29(45)28(38)24(42)14-39(27,34)48/h7-8,18-36,40-48H,9-17H2,1-6H3/b8-7+/t18-,19-,20-,21-,22+,23-,24+,25-,26-,27-,28+,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39+/m1/s1
C39H66O14758.93292200
29216943

Double-bond stereo

14 of 22 defined stereocentres - 14/22 defined
InChI=1/C39H66O14/c1-18(20(3)15-50-35-33(31(47)26(44)16-51-35)53-36-32(49-6)30(46)25(43)17-52-36)7-8-19(2)21-13-23(41)34-37(21,4)12-10-27-38(5)11-9-22(40)29(45)28(38)24(42)14-39(27,34)48/h7-8,18-36,40-48H,9-17H2,1-6H3/b8-7+/t18-,19-,20-,21-,22+,23-,24+,25?,26?,27-,28+,29+,30?,31?,32?,33?,34-,35?,36?,37-,38-,39+/m1/s1
C39H66O14758.93292200

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