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 3 results

Search term: GMGVUTPHVNGSHD (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
29213502

Charge

16 of 27 defined stereocentres - 16/27 defined
InChI=1/C54H84O25S.Na/c1-23(2)10-13-32(57)53(8)31-15-18-52(7)26-11-12-30-50(4,5)33(16-17-51(30,6)25(26)14-19-54(31,52)49(65)78-53)74-48-44(36(60)29(22-70-48)79-80(66,67)68)77-45-38(62)37(61)41(24(3)71-45)75-47-40(64)43(35(59)28(21-56)73-47)76-46-39(63)42(69-9)34(58)27(20-55)72-46;/h11,24-25,27-31,33-48,55-56,58-64H,1,10,12-22H2,2-9H3,(H,66,67,68);/q;+1/p-1/t24?,25-,27?,28?,29-,30+,31-,33+,34-,35-,36?,37?,38?,39?,40?,41-,42?,43?,44?,45+,46+,47+,48+,51-,52+,53-,54-;/m1./s1
C54H83NaO25S1187.27662200
9518779

Charge

27 of 27 defined stereocentres - 27/27 defined
InChI=1/C54H84O25S.Na/c1-23(2)10-13-32(57)53(8)31-15-18-52(7)26-11-12-30-50(4,5)33(16-17-51(30,6)25(26)14-19-54(31,52)49(65)78-53)74-48-44(36(60)29(22-70-48)79-80(66,67)68)77-45-38(62)37(61)41(24(3)71-45)75-47-40(64)43(35(59)28(21-56)73-47)76-46-39(63)42(69-9)34(58)27(20-55)72-46;/h11,24-25,27-31,33-48,55-56,58-64H,1,10,12-22H2,2-9H3,(H,66,67,68);/q;+1/p-1/t24-,25+,27-,28-,29-,30+,31-,33+,34-,35-,36+,37-,38-,39-,40-,41-,42+,43+,44-,45+,46+,47+,48+,51-,52+,53-,54-;/m1./s1
C54H83NaO25S1187.27661100
21431308

Charge

20 of 27 defined stereocentres - 20/27 defined
InChI=1/C54H84O25S.Na/c1-23(2)10-13-32(57)53(8)31-15-18-52(7)26-11-12-30-50(4,5)33(16-17-51(30,6)25(26)14-19-54(31,52)49(65)78-53)74-48-44(36(60)29(22-70-48)79-80(66,67)68)77-45-38(62)37(61)41(24(3)71-45)75-47-40(64)43(35(59)28(21-56)73-47)76-46-39(63)42(69-9)34(58)27(20-55)72-46;/h11,24-25,27-31,33-48,55-56,58-64H,1,10,12-22H2,2-9H3,(H,66,67,68);/q;+1/p-1/t24?,25-,27?,28?,29-,30+,31-,33+,34-,35-,36?,37?,38-,39-,40-,41-,42?,43?,44-,45+,46+,47+,48+,51-,52+,53-,54-;/m1./s1
C54H83NaO25S1187.27661100

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