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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 7 results

Search term: C32H36O19 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
28520787

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C32H36O19/c1-10-26(47-11(2)33)25(43)30(48-12(3)34)32(46-10)45-9-18-20(38)23(41)24(42)31(50-18)51-29-22(40)19-17(8-16(37)28(44-4)21(19)39)49-27(29)13-5-6-14(35)15(36)7-13/h5-8,10,18,20,23-26,30-32,35-39,41-43H,9H2,1-4H3/t10-,18+,20+,23-,24+,25+,26-,30+,31-,32+/m0/s1
C32H36O19724.61682200
76871199

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C32H36O19/c1-31(44,8-19(37)38)9-20(39)46-10-18-22(40)24(42)27(51-30-28(43)32(45,11-33)12-47-30)29(49-18)50-26-23(41)21-16(36)6-15(35)7-17(21)48-25(26)13-2-4-14(34)5-3-13/h2-7,18,22,24,27-30,33-36,40,42-45H,8-12H2,1H3,(H,37,38)/t18-,22-,24+,27-,28+,29+,30+,31?,32-/m1/s1
C32H36O19724.61682200
8050832

Double-bond stereo

8 of 10 defined stereocentres - 8/10 defined
InChI=1/C32H36O19/c33-15-4-3-14(8-16(15)34)24(39)27(28(42)51-22-12-32(48,30(45)46)10-19(37)26(22)41)50-20-5-1-13(7-17(20)35)2-6-23(38)49-21-11-31(47,29(43)44)9-18(36)25(21)40/h1-8,18-19,21-22,24-27,33-37,39-41,47-48H,9-12H2,(H,43,44)(H,45,46)/b6-2+/t18-,19-,21-,22-,24?,25-,26-,27?,31+,32+/m1/s1
C32H36O19724.61682100
24844249

6 of 10 defined stereocentres - 6/10 defined
InChI=1/C32H36O19/c1-11(33)45-9-20-23(38)26(41)28(43)31(49-20)51-30-27(42)24(39)21(10-46-12(2)34)50-32(30)48-19-8-16(37)22-15(36)7-18(47-29(22)25(19)40)13-4-5-17(44-3)14(35)6-13/h4-8,20-21,23-24,26-28,30-32,35,37-43H,9-10H2,1-3H3/t20?,21?,23-,24-,26+,27+,28?,30?,31+,32-/m1/s1
C32H36O19724.61681100
24845031

5 of 10 defined stereocentres - 5/10 defined
InChI=1/C32H36O19/c1-11(34)45-10-20-28(46-12(2)35)24(41)25(42)31(49-20)50-29-22(39)19(9-33)48-32(26(29)43)51-30-23(40)21-16(38)7-14(36)8-18(21)47-27(30)13-4-5-15(37)17(6-13)44-3/h4-8,19-20,22,24-26,28-29,31-33,36-39,41-43H,9-10H2,1-3H3/t19?,20?,22-,24?,25?,26-,28-,29?,31+,32+/m1/s1
C32H36O19724.61681100
115269797

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C32H36O19/c1-11(33)45-9-20-23(38)26(41)28(43)31(49-20)51-30-27(42)24(39)21(10-46-12(2)34)50-32(30)48-19-8-16(37)22-15(36)7-18(47-29(22)25(19)40)13-4-5-17(44-3)14(35)6-13/h4-8,20-21,23-24,26-28,30-32,35,37-43H,9-10H2,1-3H3/t20-,21-,23-,24-,26-,27+,28-,30-,31+,32-/m1/s1
C32H36O19724.61681100
115270136

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C32H36O19/c1-11(34)45-10-20-28(46-12(2)35)24(41)25(42)31(49-20)50-29-22(39)19(9-33)48-32(26(29)43)51-30-23(40)21-16(38)7-14(36)8-18(21)47-27(30)13-4-5-15(37)17(6-13)44-3/h4-8,19-20,22,24-26,28-29,31-33,36-39,41-43H,9-10H2,1-3H3/t19-,20-,22+,24-,25-,26-,28-,29+,31+,32+/m1/s1
C32H36O19724.61681100

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