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
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Found 3 results

Search term: NIDUTZAIIODVCH (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5142792

7 of 12 defined stereocentres - 7/12 defined
InChI=1/C40H52O17/c1-11-20(2)33(55-24(6)44)36(48)56-35-34(53-19-41)32(21(3)40(49)28(45)14-26(39(35,40)9)25-12-13-51-17-25)38(8)27(15-30(46)50-10)37(7,18-52-22(4)42)57-31(47)16-29(38)54-23(5)43/h12-13,17,19-20,26-27,29,32-35,49H,3,11,14-16,18H2,1-2,4-10H3/t20?,26-,27?,29-,32?,33?,34+,35-,37+,38+,39+,40?/m0/s1
C40H52O17804.83074300
163917

0 of 12 defined stereocentres - 0/12 defined
InChI=1/C40H52O17/c1-11-20(2)33(55-24(6)44)36(48)56-35-34(53-19-41)32(21(3)40(49)28(45)14-26(39(35,40)9)25-12-13-51-17-25)38(8)27(15-30(46)50-10)37(7,18-52-22(4)42)57-31(47)16-29(38)54-23(5)43/h12-13,17,19-20,26-27,29,32-35,49H,3,11,14-16,18H2,1-2,4-10H3
C40H52O17804.83072200
26400084

3 of 12 defined stereocentres - 3/12 defined
InChI=1/C40H52O17/c1-11-20(2)33(55-24(6)44)36(48)56-35-34(53-19-41)32(21(3)40(49)28(45)14-26(39(35,40)9)25-12-13-51-17-25)38(8)27(15-30(46)50-10)37(7,18-52-22(4)42)57-31(47)16-29(38)54-23(5)43/h12-13,17,19-20,26-27,29,32-35,49H,3,11,14-16,18H2,1-2,4-10H3/t20?,26?,27?,29?,32?,33?,34?,35?,37-,38+,39-,40?/m0/s1
C40H52O17804.83071100

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