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: CAEUHVNKGQKLOV (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
29212826

Charge

26 of 27 defined stereocentres - 26/27 defined
InChI=1/C54H84O25S.Na/c1-23(2)11-10-16-53(8)44-27(56)19-52(7)26-12-13-31-50(4,5)32(15-17-51(31,6)25(26)14-18-54(44,52)49(65)79-53)75-48-43(33(58)28(57)21-70-48)78-45-37(62)36(61)40(24(3)72-45)76-47-39(64)42(34(59)29(20-55)73-47)77-46-38(63)41(69-9)35(60)30(74-46)22-71-80(66,67)68;/h14,24,26,28-48,55,57-64H,1,10-13,15-22H2,2-9H3,(H,66,67,68);/q;+1/p-1/t24-,26-,28-,29-,30-,31+,32+,33+,34-,35-,36-,37-,38-,39-,40?,41+,42+,43-,44-,45+,46+,47+,48+,51-,52+,53+,54-;/m1./s1
C54H83NaO25S1187.27662200
76117748

Charge

27 of 27 defined stereocentres - 27/27 defined
InChI=1/C54H84O25S.Na/c1-23(2)11-10-16-53(8)44-27(56)19-52(7)26-12-13-31-50(4,5)32(15-17-51(31,6)25(26)14-18-54(44,52)49(65)79-53)75-48-43(33(58)28(57)21-70-48)78-45-37(62)36(61)40(24(3)72-45)76-47-39(64)42(34(59)29(20-55)73-47)77-46-38(63)41(69-9)35(60)30(74-46)22-71-80(66,67)68;/h14,24,26,28-48,55,57-64H,1,10-13,15-22H2,2-9H3,(H,66,67,68);/q;+1/p-1/t24-,26-,28-,29-,30-,31+,32+,33+,34-,35-,36-,37-,38-,39-,40-,41+,42+,43-,44-,45+,46+,47+,48+,51-,52+,53+,54-;/m1./s1
C54H83NaO25S1187.27662200

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