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: C50H84N4O36 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
31046979

34 of 34 defined stereocentres - 34/34 defined
InChI=1/C50H84N4O36/c1-13(62)51-17(5-55)28(67)40(18(66)6-56)86-47-27(54-16(4)65)36(75)41(23(11-61)84-47)87-48-39(78)42(88-50-44(38(77)32(71)22(10-60)83-50)90-46-26(53-15(3)64)35(74)30(69)20(8-58)81-46)33(72)24(85-48)12-79-49-43(37(76)31(70)21(9-59)82-49)89-45-25(52-14(2)63)34(73)29(68)19(7-57)80-45/h5,17-50,56-61,66-78H,6-12H2,1-4H3,(H,51,62)(H,52,63)(H,53,64)(H,54,65)/t17-,18+,19+,20+,21+,22+,23+,24+,25+,26+,27+,28+,29+,30+,31+,32+,33+,34+,35+,36+,37-,38-,39-,40+,41+,42-,43-,44-,45-,46-,47-,48-,49-,50+/m0/s1
C50H84N4O361317.207210800
8324252

34 of 35 defined stereocentres - 34/35 defined
InChI=1/C50H84N4O36/c1-12(61)51-23-34(72)39(20(9-59)79-44(23)77)86-47-26(54-15(4)64)35(73)40(21(10-60)84-47)87-48-38(76)41(88-50-43(37(75)30(68)19(8-58)83-50)90-46-25(53-14(3)63)33(71)28(66)17(6-56)81-46)31(69)22(85-48)11-78-49-42(36(74)29(67)18(7-57)82-49)89-45-24(52-13(2)62)32(70)27(65)16(5-55)80-45/h16-50,55-60,65-77H,5-11H2,1-4H3,(H,51,61)(H,52,62)(H,53,63)(H,54,64)/t16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36+,37+,38+,39-,40-,41+,42+,43+,44?,45+,46+,47+,48+,49+,50-/m1/s1
C50H84N4O361317.20724400
24606128

35 of 35 defined stereocentres - 35/35 defined
InChI=1/C50H84N4O36/c1-12(61)51-23-34(72)39(20(9-59)79-44(23)77)86-47-26(54-15(4)64)35(73)40(21(10-60)84-47)87-48-38(76)41(88-50-43(37(75)30(68)19(8-58)83-50)90-46-25(53-14(3)63)33(71)28(66)17(6-56)81-46)31(69)22(85-48)11-78-49-42(36(74)29(67)18(7-57)82-49)89-45-24(52-13(2)62)32(70)27(65)16(5-55)80-45/h16-50,55-60,65-77H,5-11H2,1-4H3,(H,51,61)(H,52,62)(H,53,63)(H,54,64)/t16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36+,37+,38+,39-,40-,41+,42+,43+,44-,45+,46+,47+,48+,49+,50-/m1/s1
C50H84N4O361317.20723900
28533531

35 of 35 defined stereocentres - 35/35 defined
InChI=1/C50H84N4O36/c1-12(62)51-23-31(70)38(19(8-58)78-44(23)77)87-49-36(75)42(28(67)17(6-56)80-49)89-47-26(54-15(4)65)33(72)40(21(10-60)83-47)88-50-37(76)43(29(68)18(7-57)81-50)90-46-25(53-14(3)64)32(71)39(20(9-59)82-46)86-48-35(74)34(73)41(22(11-61)84-48)85-45-24(52-13(2)63)30(69)27(66)16(5-55)79-45/h16-50,55-61,66-77H,5-11H2,1-4H3,(H,51,62)(H,52,63)(H,53,64)(H,54,65)/t16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28+,29+,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41+,42+,43+,44-,45-,46+,47+,48+,49+,50+/m1/s1
C50H84N4O361317.20722300

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