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: FIUKBOHZSAVHEV (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
62944597

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C36H60O18/c1-15-29(40)34(44-10)35(50-20(6)37)36(49-15)54-33-19(5)48-27(14-24(33)43-9)51-30-16(2)46-26(11-21(30)38)52-32-18(4)47-28(13-23(32)42-8)53-31-17(3)45-25(39)12-22(31)41-7/h15-19,21-24,26-36,38,40H,11-14H2,1-10H3/t15-,16-,17-,18-,19-,21-,22-,23+,24+,26+,27+,28+,29+,30-,31-,32-,33-,34+,35-,36+/m1/s1
C36H60O18780.8508151600
68054523

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C36H60O18/c1-15-29(40)34(44-10)35(50-20(6)37)36(49-15)54-33-19(5)48-27(14-24(33)43-9)51-30-16(2)46-26(11-21(30)38)52-32-18(4)47-28(13-23(32)42-8)53-31-17(3)45-25(39)12-22(31)41-7/h15-19,21-24,26-36,38,40H,11-14H2,1-10H3/t15-,16-,17-,18-,19-,21+,22-,23+,24+,26+,27+,28+,29+,30-,31-,32-,33-,34+,35-,36+/m1/s1
C36H60O18780.85084400
82963997

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C36H60O18/c1-15-29(40)34(44-10)35(50-20(6)37)36(49-15)54-33-19(5)48-27(14-24(33)43-9)51-30-16(2)46-26(11-21(30)38)52-32-18(4)47-28(13-23(32)42-8)53-31-17(3)45-25(39)12-22(31)41-7/h15-19,21-24,26-36,38,40H,11-14H2,1-10H3/t15-,16+,17-,18-,19-,21+,22-,23+,24+,26+,27+,28+,29+,30-,31-,32-,33-,34+,35-,36+/m1/s1
C36H60O18780.85083400
82964850

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C36H60O18/c1-15-29(40)34(44-10)35(50-20(6)37)36(49-15)54-33-19(5)48-27(14-24(33)43-9)51-30-16(2)46-26(11-21(30)38)52-32-18(4)47-28(13-23(32)42-8)53-31-17(3)45-25(39)12-22(31)41-7/h15-19,21-24,26-36,38,40H,11-14H2,1-10H3/t15-,16-,17-,18-,19-,21-,22-,23+,24+,26+,27+,28+,29+,30-,31-,32-,33-,34+,35-,36+/m0/s1
C36H60O18780.85082100
114391468

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C36H60O18/c1-15-29(40)34(44-10)35(50-20(6)37)36(49-15)54-33-19(5)48-27(14-24(33)43-9)51-30-16(2)46-26(11-21(30)38)52-32-18(4)47-28(13-23(32)42-8)53-31-17(3)45-25(39)12-22(31)41-7/h15-19,21-24,26-36,38,40H,11-14H2,1-10H3/t15-,16+,17+,18+,19+,21-,22-,23+,24+,26+,27+,28+,29+,30+,31-,32-,33+,34+,35-,36+/m1/s1
C36H60O18780.85081100

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