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 7 results

Search term: C70H131N19O15 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4884362

16 of 16 defined stereocentres - 16/16 defined
InChI=1/C70H131N19O15/c1-17-40(11)55(75)69(103)88-53(35-54(74)90)68(102)87-52(34-39(9)10)67(101)83-46(25-19-22-28-71)62(96)78-45(16)61(95)86-50(32-37(5)6)65(99)79-42(13)58(92)77-43(14)60(94)85-51(33-38(7)8)66(100)80-44(15)59(93)81-47(26-20-23-29-72)63(97)82-48(27-21-24-30-73)64(98)89-56(41(12)18-2)70(104)84-49(57(76)91)31-36(3)4/h36-53,55-56H,17-35,71-73,75H2,1-16H3,(H2,74,90)(H2,76,91)(H,77,92)(H,78,96)(H,79,99)(H,80,100)(H,81,93)(H,82,97)(H,83,101)(H,84,104)(H,85,94)(H,86,95)(H,87,102)(H,88,103)(H,89,98)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,55-,56-/m0/s1
C70H131N19O151478.9074333700
3876

0 of 16 defined stereocentres - 0/16 defined
InChI=1/C70H131N19O15/c1-17-40(11)55(75)69(103)88-53(35-54(74)90)68(102)87-52(34-39(9)10)67(101)83-46(25-19-22-28-71)62(96)78-45(16)61(95)86-50(32-37(5)6)65(99)79-42(13)58(92)77-43(14)60(94)85-51(33-38(7)8)66(100)80-44(15)59(93)81-47(26-20-23-29-72)63(97)82-48(27-21-24-30-73)64(98)89-56(41(12)18-2)70(104)84-49(57(76)91)31-36(3)4/h36-53,55-56H,17-35,71-73,75H2,1-16H3,(H2,74,90)(H2,76,91)(H,77,92)(H,78,96)(H,79,99)(H,80,100)(H,81,93)(H,82,97)(H,83,101)(H,84,104)(H,85,94)(H,86,95)(H,87,102)(H,88,103)(H,89,98)
C70H131N19O151478.9074839000
4576679

15 of 16 defined stereocentres - 15/16 defined
InChI=1/C70H131N19O15/c1-17-40(11)55(75)69(103)88-53(35-54(74)90)68(102)87-52(34-39(9)10)67(101)83-46(25-19-22-28-71)62(96)78-45(16)61(95)86-50(32-37(5)6)65(99)79-42(13)58(92)77-43(14)60(94)85-51(33-38(7)8)66(100)80-44(15)59(93)81-47(26-20-23-29-72)63(97)82-48(27-21-24-30-73)64(98)89-56(41(12)18-2)70(104)84-49(57(76)91)31-36(3)4/h36-53,55-56H,17-35,71-73,75H2,1-16H3,(H2,74,90)(H2,76,91)(H,77,92)(H,78,96)(H,79,99)(H,80,100)(H,81,93)(H,82,97)(H,83,101)(H,84,104)(H,85,94)(H,86,95)(H,87,102)(H,88,103)(H,89,98)/t40-,41?,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,55-,56-/m0/s1
C70H131N19O151478.90747700
26567339

16 of 16 defined stereocentres - 16/16 defined
InChI=1/C70H131N19O15/c1-17-40(11)55(75)69(103)88-53(35-54(74)90)68(102)87-52(34-39(9)10)67(101)83-46(25-19-22-28-71)62(96)78-45(16)61(95)86-50(32-37(5)6)65(99)79-42(13)58(92)77-43(14)60(94)85-51(33-38(7)8)66(100)80-44(15)59(93)81-47(26-20-23-29-72)63(97)82-48(27-21-24-30-73)64(98)89-56(41(12)18-2)70(104)84-49(57(76)91)31-36(3)4/h36-53,55-56H,17-35,71-73,75H2,1-16H3,(H2,74,90)(H2,76,91)(H,77,92)(H,78,96)(H,79,99)(H,80,100)(H,81,93)(H,82,97)(H,83,101)(H,84,104)(H,85,94)(H,86,95)(H,87,102)(H,88,103)(H,89,98)/t40-,41+,42-,43+,44-,45+,46+,47-,48-,49+,50-,51-,52+,53+,55+,56+/m1/s1
C70H131N19O151478.90743200
31150580

16 of 16 defined stereocentres - 16/16 defined
InChI=1/C70H131N19O15/c1-17-40(11)55(75)69(103)88-53(35-54(74)90)68(102)87-51(33-38(7)8)66(100)83-46(25-19-22-28-71)62(96)78-45(16)61(95)89-56(41(12)18-2)70(104)80-42(13)58(92)77-43(14)60(94)85-50(32-37(5)6)65(99)79-44(15)59(93)81-47(26-20-23-29-72)63(97)82-48(27-21-24-30-73)64(98)86-52(34-39(9)10)67(101)84-49(57(76)91)31-36(3)4/h36-53,55-56H,17-35,71-73,75H2,1-16H3,(H2,74,90)(H2,76,91)(H,77,92)(H,78,96)(H,79,99)(H,80,104)(H,81,93)(H,82,97)(H,83,100)(H,84,101)(H,85,94)(H,86,98)(H,87,102)(H,88,103)(H,89,95)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,55-,56-/m0/s1
C70H131N19O151478.90742300
8117613

0 of 16 defined stereocentres - 0/16 defined
InChI=1/C70H131N19O15/c1-17-40(11)55(75)58(92)57(91)49(35-54(74)90)84-68(102)52(33-38(7)8)87-65(99)47(26-20-23-29-72)81-60(94)44(15)80-67(101)51(32-37(5)6)85-61(95)43(14)77-59(93)42(13)79-66(100)50(31-36(3)4)86-62(96)45(16)78-63(97)46(25-19-22-28-71)82-64(98)48(27-21-24-30-73)83-70(104)56(41(12)18-2)88-69(103)53(89-76)34-39(9)10/h36-53,55-56,89H,17-35,71-73,75-76H2,1-16H3,(H2,74,90)(H,77,93)(H,78,97)(H,79,100)(H,80,101)(H,81,94)(H,82,98)(H,83,104)(H,84,102)(H,85,95)(H,86,96)(H,87,99)(H,88,103)
C70H131N19O151478.90742100
107445708

16 of 16 defined stereocentres - 16/16 defined
InChI=1/C70H131N19O15/c1-17-41(11)55(36-90)89-88-54(35-56(74)91)69(103)86-53(34-40(9)10)68(102)82-47(25-19-22-28-71)63(97)77-46(16)62(96)85-51(32-38(5)6)66(100)78-43(13)59(93)76-44(14)61(95)84-52(33-39(7)8)67(101)79-45(15)60(94)80-48(26-20-23-29-72)64(98)81-49(27-21-24-30-73)65(99)87-57(42(12)18-2)70(104)83-50(58(75)92)31-37(3)4/h36-55,57,88-89H,17-35,71-73H2,1-16H3,(H2,74,91)(H2,75,92)(H,76,93)(H,77,97)(H,78,100)(H,79,101)(H,80,94)(H,81,98)(H,82,102)(H,83,104)(H,84,95)(H,85,96)(H,86,103)(H,87,99)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55+,57-/m0/s1
C70H131N19O151478.90741100

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