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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
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Found 3 results

Search term: C69H110O38 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24785476

0 of 43 defined stereocentres - 0/43 defined
InChI=1/C69H110O38/c1-23-52(103-57-46(86)36(76)27(72)18-94-57)45(85)51(91)59(99-23)104-53-38(78)29(74)20-96-61(53)107-63(93)69-13-12-64(2,3)14-25(69)24-8-9-33-65(4)15-26(71)54(68(7,62(92)106-58-47(87)37(77)28(73)19-95-58)34(65)10-11-66(33,5)67(24,6)16-35(69)75)105-60-50(90)44(84)41(81)32(102-60)22-98-56-49(89)43(83)40(80)31(101-56)21-97-55-48(88)42(82)39(79)30(17-70)100-55/h8,23,25-61,70-91H,9-22H2,1-7H3
C69H110O381547.58891100
71044158

40 of 42 defined stereocentres - 40/42 defined
InChI=1/C69H110O38/c1-24-47(101-54-44(86)36(78)28(75)20-94-54)48(102-60-52(89)68(93,22-73)23-96-60)46(88)56(97-24)103-49-37(79)29(76)21-95-57(49)107-62(92)69-13-12-63(2,3)14-26(69)25-8-9-33-64(4)15-27(74)53(67(7,61(90)91)34(64)10-11-65(33,5)66(25,6)16-35(69)77)106-59-51(43(85)40(82)32(19-72)100-59)105-58-50(42(84)39(81)31(18-71)99-58)104-55-45(87)41(83)38(80)30(17-70)98-55/h8,24,26-60,70-89,93H,9-23H2,1-7H3,(H,90,91)/t24-,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-,64+,65+,66+,67-,68+,69+/m0/s1
C69H110O381547.58891400
71044159

41 of 43 defined stereocentres - 41/43 defined
InChI=1/C69H110O38/c1-23-49(101-55-45(87)36(78)27(74)20-94-55)50(102-56-46(88)37(79)28(75)21-95-56)48(90)58(97-23)103-51-38(80)29(76)22-96-59(51)107-63(93)69-13-12-64(2,3)14-25(69)24-8-9-33-65(4)15-26(73)54(68(7,62(91)92)34(65)10-11-66(33,5)67(24,6)16-35(69)77)106-61-53(44(86)41(83)32(19-72)100-61)105-60-52(43(85)40(82)31(18-71)99-60)104-57-47(89)42(84)39(81)30(17-70)98-57/h8,23,25-61,70-90H,9-22H2,1-7H3,(H,91,92)/t23-,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-,65+,66+,67+,68-,69+/m0/s1
C69H110O381547.58891200

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