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: VDENSBHPZQKGGL (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
29367861

19 of 19 defined stereocentres - 19/19 defined
InChI=1/C32H54N4O21/c1-10(42)33-14(5-37)22(47)27(15(46)6-38)55-31-20(35-12(3)44)25(50)29(17(8-40)53-31)57-32-21(36-13(4)45)26(51)28(18(9-41)54-32)56-30-19(34-11(2)43)24(49)23(48)16(7-39)52-30/h5,14-32,38-41,46-51H,6-9H2,1-4H3,(H,33,42)(H,34,43)(H,35,44)(H,36,45)/t14-,15+,16+,17+,18+,19+,20+,21+,22+,23+,24+,25+,26+,27+,28+,29+,30-,31-,32-/m0/s1
C32H54N4O21830.7854232200
2848320

0 of 19 defined stereocentres - 0/19 defined
InChI=1/C32H54N4O21/c1-10(42)33-14(5-37)22(47)27(15(46)6-38)55-31-20(35-12(3)44)25(50)29(17(8-40)53-31)57-32-21(36-13(4)45)26(51)28(18(9-41)54-32)56-30-19(34-11(2)43)24(49)23(48)16(7-39)52-30/h5,14-32,38-41,46-51H,6-9H2,1-4H3,(H,33,42)(H,34,43)(H,35,44)(H,36,45)
C32H54N4O21830.7853599999992100
114813534

19 of 19 defined stereocentres - 19/19 defined
InChI=1/C32H54N4O21/c1-10(42)33-14(5-37)22(47)27(15(46)6-38)55-31-20(35-12(3)44)25(50)29(17(8-40)53-31)57-32-21(36-13(4)45)26(51)28(18(9-41)54-32)56-30-19(34-11(2)43)24(49)23(48)16(7-39)52-30/h5,14-32,38-41,46-51H,6-9H2,1-4H3,(H,33,42)(H,34,43)(H,35,44)(H,36,45)/t14-,15+,16+,17+,18+,19+,20+,21+,22+,23+,24+,25-,26-,27+,28+,29+,30+,31-,32-/m0/s1
C32H54N4O21830.78541100

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