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: WAELFWPRCUOKPX (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
7874853

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C23H27ClN2O8/c1-12-9-15(24)5-8-17(12)32-13(2)22(31)26-25-10-14-3-6-16(7-4-14)33-23-21(30)20(29)19(28)18(11-27)34-23/h3-10,13,18-21,23,27-30H,11H2,1-2H3,(H,26,31)/b25-10+/t13?,18-,19-,20+,21-,23-/m1/s1
C23H27ClN2O8494.922114800
3431514

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C23H27ClN2O8/c1-12-9-15(24)5-8-17(12)32-13(2)22(31)26-25-10-14-3-6-16(7-4-14)33-23-21(30)20(29)19(28)18(11-27)34-23/h3-10,13,18-21,23,27-30H,11H2,1-2H3,(H,26,31)
C23H27ClN2O8494.922082100
5885090

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C23H27ClN2O8/c1-12-9-15(24)5-8-17(12)32-13(2)22(31)26-25-10-14-3-6-16(7-4-14)33-23-21(30)20(29)19(28)18(11-27)34-23/h3-10,13,18-21,23,27-30H,11H2,1-2H3,(H,26,31)/b25-10-/t13-,18+,19+,20-,21+,23+/m0/s1
C23H27ClN2O8494.92212100
5885096

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C23H27ClN2O8/c1-12-9-15(24)5-8-17(12)32-13(2)22(31)26-25-10-14-3-6-16(7-4-14)33-23-21(30)20(29)19(28)18(11-27)34-23/h3-10,13,18-21,23,27-30H,11H2,1-2H3,(H,26,31)/b25-10-/t13-,18-,19-,20+,21-,23-/m1/s1
C23H27ClN2O8494.92212100
62489526

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C23H27ClN2O8/c1-12-9-15(24)5-8-17(12)32-13(2)22(31)26-25-10-14-3-6-16(7-4-14)33-23-21(30)20(29)19(28)18(11-27)34-23/h3-10,13,18-21,23,27-30H,11H2,1-2H3,(H,26,31)/b25-10+/t13-,18+,19+,20-,21+,23+/m0/s1
C23H27ClN2O8494.92212300
62392015

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C23H27ClN2O8/c1-12-9-15(24)5-8-17(12)32-13(2)22(31)26-25-10-14-3-6-16(7-4-14)33-23-21(30)20(29)19(28)18(11-27)34-23/h3-10,13,18-21,23,27-30H,11H2,1-2H3,(H,26,31)/b25-10+/t13-,18-,19-,20+,21-,23-/m1/s1
C23H27ClN2O8494.92211100

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