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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 17 results

Search term: C34H40O19 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10483503

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C34H40O19/c1-15(35)45-13-24-27(48-18(4)38)28(49-19(5)39)29(50-20(6)40)33(51-24)53-32-25-23(11-12-44-32)26(30(41)34(25,43)14-46-16(2)36)52-31(42)21-7-9-22(10-8-21)47-17(3)37/h7-12,23-30,32-33,41,43H,13-14H2,1-6H3/t23-,24-,25-,26+,27-,28+,29-,30-,32?,33+,34-/m1/s1
C34H40O19752.676600
12944921

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C34H40O19/c1-14-27(45-15(2)35)29(47-17(4)37)31(49-19(6)39)33(44-14)43-13-25-28(46-16(3)36)30(48-18(5)38)32(50-20(7)40)34(53-25)52-24-12-22-21(11-23(24)42-8)9-10-26(41)51-22/h9-12,14,25,27-34H,13H2,1-8H3
C34H40O19752.674200
12944922

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C34H40O19/c1-14-27(45-16(3)36)29(47-18(5)38)31(49-20(7)40)33(44-14)53-32-30(48-19(6)39)28(46-17(4)37)25(13-43-15(2)35)52-34(32)51-24-12-22-21(11-23(24)42-8)9-10-26(41)50-22/h9-12,14,25,27-34H,13H2,1-8H3
C34H40O19752.674200
8828007

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C34H40O19/c1-11-21(39)24(42)31(53-32-26(44)22(40)18(38)10-46-32)34(47-11)52-30-23(41)20-17(37)8-16(9-19(20)51-29(30)14-4-6-15(36)7-5-14)50-33-27(45)25(43)28(12(2)48-33)49-13(3)35/h4-9,11-12,18,21-22,24-28,31-34,36-40,42-45H,10H2,1-3H3/t11-,12-,18+,21-,22-,24+,25-,26+,27+,28-,31+,32-,33-,34-/m0/s1
C34H40O19752.673200
9724274

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C34H40O19/c1-4-13-20(36)24(40)26(42)33(49-13)47-10-6-11-17-15(7-10)48-30(44)12-8-16(22(38)28(18(12)17)52-31(11)45)51-34-27(43)29(21(37)14(5-2)50-34)53-32-25(41)23(39)19(35)9(3)46-32/h6-9,13-14,19-21,23-27,29,32-43H,4-5H2,1-3H3/t9-,13-,14+,19-,20-,21+,23+,24+,25+,26-,27+,29-,32-,33-,34-/m0/s1
C34H40O19752.672100
10141962

9 of 11 defined stereocentres - 9/11 defined
InChI=1/C34H40O19/c1-15(35)45-13-24-27(48-18(4)38)28(49-19(5)39)29(50-20(6)40)33(51-24)53-32-25-23(11-12-44-32)26(30(41)34(25,43)14-46-16(2)36)52-31(42)21-7-9-22(10-8-21)47-17(3)37/h7-12,23-30,32-33,41,43H,13-14H2,1-6H3/t23-,24-,25-,26+,27-,28+,29-,30-,32?,33+,34?/m1/s1
C34H40O19752.672200
10142328

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C34H40O19/c1-45-19-8-14(9-20(46-2)23(19)38)7-16-17(10-15-5-6-18(37)29(48-4)28(15)47-3)32(44)51-30-25(40)21(11-35)52-34(30,13-36)53-33-27(42)26(41)24(39)22(50-33)12-49-31(16)43/h5-10,21-22,24-27,30,33,35-42H,11-13H2,1-4H3/b16-7+,17-10+/t21-,22-,24-,25-,26-,27-,30-,33-,34+/m1/s1
C34H40O19752.672200
28514638

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C34H40O19/c1-13-23(40)26(43)28(45)32(49-13)53-31-27(44)24(41)19(12-48-21(39)11-34(2,46)10-20(37)38)51-33(31)52-30-25(42)22-17(36)8-16(47-3)9-18(22)50-29(30)14-4-6-15(35)7-5-14/h4-9,13,19,23-24,26-28,31-33,35-36,40-41,43-46H,10-12H2,1-3H3,(H,37,38)/t13-,19+,23-,24-,26+,27-,28+,31+,32-,33-,34-/m0/s1
C34H40O19752.672200
28514639

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C34H40O19/c1-13-23(41)26(44)27(45)32(48-13)53-31-29(51-21(40)11-34(2,46)10-20(38)39)24(42)19(12-35)50-33(31)52-30-25(43)22-17(37)8-16(47-3)9-18(22)49-28(30)14-4-6-15(36)7-5-14/h4-9,13,19,23-24,26-27,29,31-33,35-37,41-42,44-46H,10-12H2,1-3H3,(H,38,39)/t13-,19+,23-,24-,26+,27+,29-,31+,32-,33-,34-/m0/s1
C34H40O19752.672200
28518246

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C34H40O19/c1-13-23(41)25(43)26(44)32(48-13)53-31-27(45)29(51-21(40)11-34(2,46)10-20(38)39)19(12-35)50-33(31)52-30-24(42)22-17(37)8-16(47-3)9-18(22)49-28(30)14-4-6-15(36)7-5-14/h4-9,13,19,23,25-27,29,31-33,35-37,41,43-46H,10-12H2,1-3H3,(H,38,39)/t13-,19+,23-,25+,26+,27-,29-,31+,32-,33-,34-/m0/s1
C34H40O19752.672200
3210979

0 of 11 defined stereocentres - 0/11 defined
InChI=1/C34H40O19/c1-15(35)45-13-24-27(48-18(4)38)28(49-19(5)39)29(50-20(6)40)33(51-24)53-32-25-23(11-12-44-32)26(30(41)34(25,43)14-46-16(2)36)52-31(42)21-7-9-22(10-8-21)47-17(3)37/h7-12,23-30,32-33,41,43H,13-14H2,1-6H3
C34H40O19752.672100
8756306

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C34H40O19/c1-45-15-7-13(8-16(46-2)23(15)37)20-21-12(6-17(47-3)25(39)29(21)48-4)5-14-22(20)32(44)49-10-19-24(38)27(41)28(42)33(50-19)53-34(11-36)30(51-31(14)43)26(40)18(9-35)52-34/h5-8,18-20,22,24,26-28,30,33,35-42H,9-11H2,1-4H3/t18-,19-,20+,22?,24-,26-,27+,28-,30+,33-,34+/m1/s1
C34H40O19752.672100
115269952

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C34H40O19/c1-11-21(39)24(42)26(44)33(47-11)50-16-8-17(37)20-19(9-16)51-29(14-4-6-15(36)7-5-14)30(23(20)41)53-34-27(45)31(28(12(2)48-34)49-13(3)35)52-32-25(43)22(40)18(38)10-46-32/h4-9,11-12,18,21-22,24-28,31-34,36-40,42-45H,10H2,1-3H3/t11-,12-,18+,21-,22-,24+,25+,26+,27+,28-,31-,32-,33-,34-/m0/s1
C34H40O19752.671100
10242677

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C34H40O19/c1-45-15-7-13(8-16(46-2)23(15)37)20-21-12(6-17(47-3)25(39)29(21)48-4)5-14-22(20)32(44)49-10-19-24(38)27(41)28(42)33(50-19)53-34(11-36)30(51-31(14)43)26(40)18(9-35)52-34/h5-8,18-20,22,24,26-28,30,33,35-42H,9-11H2,1-4H3/t18-,19-,20+,22+,24-,26-,27+,28-,30+,33-,34+/m1/s1
C34H40O19752.671100
24844645

9 of 14 defined stereocentres - 9/14 defined
InChI=1/C34H40O19/c1-11-21(39)24(42)26(44)33(47-11)50-16-8-17(37)20-19(9-16)51-29(14-4-6-15(36)7-5-14)30(23(20)41)53-34-27(45)31(28(12(2)48-34)49-13(3)35)52-32-25(43)22(40)18(38)10-46-32/h4-9,11-12,18,21-22,24-28,31-34,36-40,42-45H,10H2,1-3H3/t11?,12?,18-,21+,22+,24+,25?,26?,27+,28+,31?,32+,33+,34-/m1/s1
C34H40O19752.671100
24844711

9 of 14 defined stereocentres - 9/14 defined
InChI=1/C34H40O19/c1-11-21(39)24(42)31(53-32-26(44)22(40)18(38)10-46-32)34(47-11)52-30-23(41)20-17(37)8-16(9-19(20)51-29(30)14-4-6-15(36)7-5-14)50-33-27(45)25(43)28(12(2)48-33)49-13(3)35/h4-9,11-12,18,21-22,24-28,31-34,36-40,42-45H,10H2,1-3H3/t11?,12?,18-,21+,22+,24?,25?,26?,27+,28+,31+,32+,33+,34+/m1/s1
C34H40O19752.671100

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