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: C54H84O21 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
144173

26 of 26 defined stereocentres - 26/26 defined
InChI=1/C54H84O21/c1-23-34(58)27(57)18-33(68-23)71-32-20-49(3,4)19-26-25-10-11-30-51(6)14-13-31(52(7,22-56)29(51)12-15-54(30,9)53(25,8)17-16-50(26,32)5)72-48-44(40(64)39(63)42(73-48)45(66)67)75-47-43(38(62)36(60)28(21-55)70-47)74-46-41(65)37(61)35(59)24(2)69-46/h10,24,26,28-33,35-44,46-48,55-56,58-65H,11-22H2,1-9H3,(H,66,67)/t24-,26-,28+,29+,30+,31-,32+,33-,35-,36-,37+,38-,39-,40-,41+,42-,43+,44+,46-,47-,48+,50+,51-,52+,53+,54+/m0/s1
C54H84O211069.23225500
8030535

20 of 26 defined stereocentres - 20/26 defined
InChI=1/C54H84O21/c1-23-34(58)27(57)18-33(68-23)71-32-20-49(3,4)19-26-25-10-11-30-51(6)14-13-31(52(7,22-56)29(51)12-15-54(30,9)53(25,8)17-16-50(26,32)5)72-48-44(40(64)39(63)42(73-48)45(66)67)75-47-43(38(62)36(60)28(21-55)70-47)74-46-41(65)37(61)35(59)24(2)69-46/h10,24,26,28-33,35-44,46-48,55-56,58-65H,11-22H2,1-9H3,(H,66,67)/t24-,26?,28+,29?,30?,31?,32?,33?,35-,36-,37+,38-,39-,40-,41+,42-,43+,44+,46-,47-,48+,50+,51-,52+,53+,54+/m0/s1
C54H84O211069.23222100
8947785

27 of 27 defined stereocentres - 27/27 defined
InChI=1/C54H84O21/c1-24-40(72-44-37(63)34(60)29(58)22-67-44)36(62)38(64)45(68-24)74-43-35(61)30(21-55)71-47(43)73-42-39(65)46(69-25(2)41(42)70-26(3)57)75-48(66)54-18-16-49(4,5)20-28(54)27-10-11-32-50(6)14-13-33(59)51(7,23-56)31(50)12-15-53(32,9)52(27,8)17-19-54/h10,23-25,28-47,55,58-65H,11-22H2,1-9H3/t24-,25+,28-,29+,30-,31+,32+,33-,34-,35-,36-,37+,38+,39+,40-,41-,42+,43+,44-,45+,46-,47+,50-,51-,52-,53+,54-/m0/s1
C54H84O211069.23222100
10205960

27 of 27 defined stereocentres - 27/27 defined
InChI=1/C54H84O21/c1-24-40(72-44-37(63)34(60)29(58)22-67-44)36(62)39(65)45(68-24)74-43-42(73-46-38(64)35(61)30(21-55)71-46)41(70-26(3)57)25(2)69-47(43)75-48(66)54-18-16-49(4,5)20-28(54)27-10-11-32-50(6)14-13-33(59)51(7,23-56)31(50)12-15-53(32,9)52(27,8)17-19-54/h10,23-25,28-47,55,58-65H,11-22H2,1-9H3/t24-,25+,28-,29+,30-,31+,32+,33-,34-,35-,36-,37+,38+,39+,40-,41-,42-,43+,44-,45-,46-,47-,50-,51-,52+,53+,54-/m0/s1
C54H84O211069.23221100

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