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 2 results

Search term: ZLQYLBIYSFRNLT (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
30821540

Charge

34 of 34 defined stereocentres - 34/34 defined
InChI=1/C56H90O29S.Na/c1-20(58)15-25(59)18-56(8,71)33-10-9-28-27-17-31(30-16-26(85-86(72,73)74)11-13-54(30,6)29(27)12-14-55(28,33)7)79-51-44(70)46(37(63)32(19-57)80-51)82-53-48(84-50-42(68)39(65)35(61)22(3)76-50)43(69)45(24(5)78-53)81-52-47(40(66)36(62)23(4)77-52)83-49-41(67)38(64)34(60)21(2)75-49;/h12,21-24,26-28,30-53,57,60-71H,9-11,13-19H2,1-8H3,(H,72,73,74);/q;+1/p-1/t21-,22-,23-,24-,26+,27+,28+,30-,31+,32-,33+,34+,35-,36+,37-,38+,39+,40+,41-,42-,43+,44-,45-,46+,47-,48-,49+,50+,51-,52+,53+,54-,55+,56-;/m1./s1
C56H89NaO29S1281.34322200
32674560

Charge

34 of 34 defined stereocentres - 34/34 defined
InChI=1/C56H90O29S.Na/c1-20(58)15-25(59)18-56(8,71)33-10-9-28-27-17-31(30-16-26(85-86(72,73)74)11-13-54(30,6)29(27)12-14-55(28,33)7)79-51-44(70)46(37(63)32(19-57)80-51)82-53-48(84-50-42(68)39(65)35(61)22(3)76-50)43(69)45(24(5)78-53)81-52-47(40(66)36(62)23(4)77-52)83-49-41(67)38(64)34(60)21(2)75-49;/h12,21-24,26-28,30-53,57,60-71H,9-11,13-19H2,1-8H3,(H,72,73,74);/q;+1/p-1/t21-,22-,23-,24-,26+,27+,28+,30-,31+,32-,33+,34+,35-,36+,37-,38+,39+,40+,41-,42-,43+,44-,45-,46+,47-,48-,49+,50+,51-,52+,53+,54-,55+,56+;/m1./s1
C56H89NaO29S1281.34322200

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