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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: C61H102N4O44 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24606154

44 of 44 defined stereocentres - 44/44 defined
InChI=1/C61H102N4O44/c1-14-31(77)41(87)45(91)58(95-14)105-48-30(65-18(5)75)53(92)96-25(11-71)47(48)104-56-29(64-17(4)74)40(86)46(24(10-70)101-56)103-61-52(109-57-44(90)32(78)19(76)12-93-57)49(106-60-51(43(89)36(82)23(9-69)100-60)108-55-28(63-16(3)73)39(85)34(80)21(7-67)98-55)37(83)26(102-61)13-94-59-50(42(88)35(81)22(8-68)99-59)107-54-27(62-15(2)72)38(84)33(79)20(6-66)97-54/h14,19-61,66-71,76-92H,6-13H2,1-5H3,(H,62,72)(H,63,73)(H,64,74)(H,65,75)/t14-,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-,51-,52-,53+,54-,55-,56-,57-,58-,59-,60+,61-/m0/s1
C61H102N4O441595.4632700
26331676

43 of 44 defined stereocentres - 43/44 defined
InChI=1/C61H102N4O44/c1-14-31(77)41(87)45(91)58(95-14)105-48-30(65-18(5)75)53(92)96-25(11-71)47(48)104-56-29(64-17(4)74)40(86)46(24(10-70)101-56)103-61-52(109-57-44(90)32(78)19(76)12-93-57)49(106-60-51(43(89)36(82)23(9-69)100-60)108-55-28(63-16(3)73)39(85)34(80)21(7-67)98-55)37(83)26(102-61)13-94-59-50(42(88)35(81)22(8-68)99-59)107-54-27(62-15(2)72)38(84)33(79)20(6-66)97-54/h14,19-61,66-71,76-92H,6-13H2,1-5H3,(H,62,72)(H,63,73)(H,64,74)(H,65,75)/t14-,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-,51-,52-,53?,54-,55-,56-,57-,58-,59-,60+,61-/m0/s1
C61H102N4O441595.4632300
128920057

44 of 44 defined stereocentres - 44/44 defined
InChI=1/C61H102N4O44/c1-14-31(76)42(87)46(91)57(96-14)94-13-26-48(40(85)27(53(92)97-26)62-15(2)71)104-56-30(65-18(5)74)41(86)47(24(10-70)102-56)105-61-52(109-58-45(90)32(77)19(75)11-93-58)49(106-60-51(44(89)36(81)23(9-69)101-60)108-55-29(64-17(4)73)39(84)34(79)21(7-67)99-55)37(82)25(103-61)12-95-59-50(43(88)35(80)22(8-68)100-59)107-54-28(63-16(3)72)38(83)33(78)20(6-66)98-54/h14,19-61,66-70,75-92H,6-13H2,1-5H3,(H,62,71)(H,63,72)(H,64,73)(H,65,74)/t14-,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-,51-,52-,53+,54-,55-,56-,57+,58-,59-,60+,61-/m0/s1
C61H102N4O441595.4631100
128920072

43 of 44 defined stereocentres - 43/44 defined
InChI=1/C61H102N4O44/c1-14-31(76)42(87)46(91)57(96-14)94-13-26-48(40(85)27(53(92)97-26)62-15(2)71)104-56-30(65-18(5)74)41(86)47(24(10-70)102-56)105-61-52(109-58-45(90)32(77)19(75)11-93-58)49(106-60-51(44(89)36(81)23(9-69)101-60)108-55-29(64-17(4)73)39(84)34(79)21(7-67)99-55)37(82)25(103-61)12-95-59-50(43(88)35(80)22(8-68)100-59)107-54-28(63-16(3)72)38(83)33(78)20(6-66)98-54/h14,19-61,66-70,75-92H,6-13H2,1-5H3,(H,62,71)(H,63,72)(H,64,73)(H,65,74)/t14-,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-,51-,52-,53?,54-,55-,56-,57+,58-,59-,60+,61-/m0/s1
C61H102N4O441595.4631100

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