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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
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Isotopically Labeled
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Found 7 results

Search term: C45H56O23 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4477299

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C45H56O23/c1-17(2)8-13-24-26(63-43-35(56)33(54)30(51)27(15-46)64-43)14-25(50)29-32(53)40(38(66-39(24)29)22-9-11-23(58-7)12-10-22)67-44-36(57)41(37(18(3)60-44)61-20(5)48)68-45-42(62-21(6)49)34(55)31(52)28(65-45)16-59-19(4)47/h8-12,14,18,27-28,30-31,33-37,41-46,50-52,54-57H,13,15-16H2,1-7H3/t18-,27+,28+,30+,31+,33-,34-,35+,36+,37-,41-,42+,43+,44-,45-/m0/s1
C45H56O23964.9123111000
82951765

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C45H56O23/c1-17(2)8-13-24-26(63-43-34(55)33(54)30(51)27(15-46)64-43)14-25(50)29-32(53)41(38(66-39(24)29)22-9-11-23(58-7)12-10-22)67-45-42(35(56)37(18(3)60-45)61-20(5)48)68-44-36(57)40(62-21(6)49)31(52)28(65-44)16-59-19(4)47/h8-12,14,18,27-28,30-31,33-37,40,42-46,50-52,54-57H,13,15-16H2,1-7H3/t18-,27+,28+,30+,31+,33-,34+,35+,36+,37-,40-,42+,43+,44-,45-/m0/s1
C45H56O23964.91235400
4884513

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C45H56O23/c1-17(2)8-13-24-26(63-43-34(55)32(53)30(51)27(15-46)64-43)14-25(50)29-31(52)41(38(66-39(24)29)22-9-11-23(58-7)12-10-22)67-45-36(57)42(37(18(3)60-45)61-20(5)48)68-44-35(56)33(54)40(62-21(6)49)28(65-44)16-59-19(4)47/h8-12,14,18,27-28,30,32-37,40,42-46,50-51,53-57H,13,15-16H2,1-7H3/t18-,27-,28-,30-,32-,33+,34-,35-,36-,37-,40-,42+,43-,44+,45+/m1/s1
C45H56O23964.91232200
24844755

9 of 15 defined stereocentres - 9/15 defined
InChI=1/C45H56O23/c1-17(2)8-13-24-26(63-43-35(56)33(54)30(51)27(15-46)64-43)14-25(50)29-32(53)40(38(66-39(24)29)22-9-11-23(58-7)12-10-22)67-44-36(57)41(37(18(3)60-44)61-20(5)48)68-45-42(62-21(6)49)34(55)31(52)28(65-45)16-59-19(4)47/h8-12,14,18,27-28,30-31,33-37,41-46,50-52,54-57H,13,15-16H2,1-7H3/t18?,27?,28?,30-,31-,33+,34+,35?,36+,37+,41?,42?,43-,44+,45+/m1/s1
C45H56O23964.91231100
24844756

9 of 15 defined stereocentres - 9/15 defined
InChI=1/C45H56O23/c1-17(2)8-13-24-26(63-43-34(55)32(53)30(51)27(15-46)64-43)14-25(50)29-31(52)41(38(66-39(24)29)22-9-11-23(58-7)12-10-22)67-45-36(57)42(37(18(3)60-45)61-20(5)48)68-44-35(56)33(54)40(62-21(6)49)28(65-44)16-59-19(4)47/h8-12,14,18,27-28,30,32-37,40,42-46,50-51,53-57H,13,15-16H2,1-7H3/t18?,27?,28?,30-,32+,33-,34?,35?,36+,37+,40-,42?,43-,44+,45+/m1/s1
C45H56O23964.91231100
113610084

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C45H56O23/c1-17(2)8-13-24-26(63-43-34(55)33(54)30(51)27(15-46)64-43)14-25(50)29-32(53)41(38(66-39(24)29)22-9-11-23(58-7)12-10-22)67-45-42(35(56)37(18(3)60-45)61-20(5)48)68-44-36(57)40(62-21(6)49)31(52)28(65-44)16-59-19(4)47/h8-12,14,18,27-28,30-31,33-37,40,42-46,50-52,54-57H,13,15-16H2,1-7H3/t18-,27+,28+,30+,31+,33-,34-,35+,36-,37-,40-,42-,43-,44+,45+/m0/s1
C45H56O23964.91231100
115270005

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C45H56O23/c1-17(2)8-13-24-26(63-43-34(55)32(53)30(51)27(15-46)64-43)14-25(50)29-31(52)41(38(66-39(24)29)22-9-11-23(58-7)12-10-22)67-45-36(57)42(37(18(3)60-45)61-20(5)48)68-44-35(56)33(54)40(62-21(6)49)28(65-44)16-59-19(4)47/h8-12,14,18,27-28,30,32-37,40,42-46,50-51,53-57H,13,15-16H2,1-7H3/t18-,27+,28+,30+,32-,33+,34+,35+,36+,37-,40+,42-,43+,44-,45-/m0/s1
C45H56O23964.91231100

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