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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 35 results

Search term: C34H40O16 (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
17460009

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C34H40O16/c1-13(9-45-34-31(41)29(39)28(38)24(50-34)12-47-33-30(40)27(37)17(35)10-46-33)19-7-16-18(48-19)5-4-14-26(36)25-15-6-21(42-2)22(43-3)8-20(15)44-11-23(25)49-32(14)16/h4-6,8,17,19,23-25,27-31,33-35,37-41H,1,7,9-12H2,2-3H3/t17-,19-,23+,24-,25-,27-,28+,29-,30+,31+,33-,34+/m0/s1
C34H40O16704.671812600
21342969

10 of 12 defined stereocentres - 10/12 defined
InChI=1/C34H40O16/c1-13(9-45-34-31(41)29(39)28(38)24(50-34)12-47-33-30(40)27(37)17(35)10-46-33)19-7-16-18(48-19)5-4-14-26(36)25-15-6-21(42-2)22(43-3)8-20(15)44-11-23(25)49-32(14)16/h4-6,8,17,19,23-25,27-31,33-35,37-41H,1,7,9-12H2,2-3H3/t17-,19-,23?,24-,25?,27-,28+,29-,30+,31+,33-,34+/m0/s1
C34H40O16704.671811700
17465058

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C34H40O16/c1-13(9-45-34-31(41)29(39)28(38)24(50-34)12-47-33-30(40)27(37)17(35)10-46-33)19-7-16-18(48-19)5-4-14-26(36)25-15-6-21(42-2)22(43-3)8-20(15)44-11-23(25)49-32(14)16/h4-6,8,17,19,23-25,27-31,33-35,37-41H,1,7,9-12H2,2-3H3/t17-,19+,23+,24-,25-,27-,28+,29-,30+,31+,33-,34+/m0/s1
C34H40O16704.67189500
17466592

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C34H40O16/c1-13(9-45-34-31(41)29(39)28(38)24(50-34)12-47-33-30(40)27(37)17(35)10-46-33)19-7-16-18(48-19)5-4-14-26(36)25-15-6-21(42-2)22(43-3)8-20(15)44-11-23(25)49-32(14)16/h4-6,8,17,19,23-25,27-31,33-35,37-41H,1,7,9-12H2,2-3H3/t17-,19-,23-,24+,25+,27-,28+,29-,30+,31+,33-,34+/m1/s1
C34H40O16704.67189500
19970401

16 of 16 defined stereocentres - 16/16 defined
InChI=1/C34H40O16/c1-13-15-9-18-33-12-46-34(31(44)45-3,26(33)24(29(43)49-18)50-28(42)14-7-5-4-6-8-14)27(41)23(40)25(33)32(15,2)10-16(19(13)36)47-30-22(39)21(38)20(37)17(11-35)48-30/h4-8,10,13,15,17-18,20-27,30,35,37-41H,9,11-12H2,1-3H3/t13-,15-,17+,18+,20+,21-,22+,23+,24+,25+,26+,27-,30+,32-,33+,34-/m0/s1
C34H40O16704.67187800
3778766

0 of 12 defined stereocentres - 0/12 defined
InChI=1/C34H40O16/c1-13(9-45-34-31(41)29(39)28(38)24(50-34)12-47-33-30(40)27(37)17(35)10-46-33)19-7-16-18(48-19)5-4-14-26(36)25-15-6-21(42-2)22(43-3)8-20(15)44-11-23(25)49-32(14)16/h4-6,8,17,19,23-25,27-31,33-35,37-41H,1,7,9-12H2,2-3H3
C34H40O16704.6717999999997200
9654904

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C34H40O16/c1-13(9-45-34-31(41)29(39)28(38)24(50-34)12-47-33-30(40)27(37)17(35)10-46-33)19-7-16-18(48-19)5-4-14-26(36)25-15-6-21(42-2)22(43-3)8-20(15)44-11-23(25)49-32(14)16/h4-6,8,17,19,23-25,27-31,33-35,37-41H,1,7,9-12H2,2-3H3/t17-,19+,23+,24+,25-,27-,28+,29-,30+,31+,33-,34+/m0/s1
C34H40O16704.671871900
32820913

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C34H40O16/c1-13(9-45-34-31(41)29(39)28(38)24(50-34)12-47-33-30(40)27(37)17(35)10-46-33)19-7-16-18(48-19)5-4-14-26(36)25-15-6-21(42-2)22(43-3)8-20(15)44-11-23(25)49-32(14)16/h4-6,8,17,19,23-25,27-31,33-35,37-41H,1,7,9-12H2,2-3H3/t17-,19+,23-,24+,25+,27-,28+,29-,30+,31+,33-,34+/m0/s1
C34H40O16704.67185400
109463

9 of 12 defined stereocentres - 9/12 defined
InChI=1/C34H40O16/c1-13(11-45-34-32(29(40)27(38)22(9-35)49-34)50-33-30(41)28(39)23(10-36)48-33)18-7-16-17(46-18)5-4-14-26(37)25-15-6-20(42-2)21(43-3)8-19(15)44-12-24(25)47-31(14)16/h4-6,8,18,22-25,27-30,32-36,38-41H,1,7,9-12H2,2-3H3/t18?,22-,23-,24?,25?,27-,28-,29+,30+,32-,33+,34+/m1/s1
C34H40O16704.67185400
90615911

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C34H40O16/c1-13(2)5-10-18-20(47-34-27(43)25(41)23(39)21(12-35)48-34)11-19(38)22-24(40)32(30(49-31(18)22)16-6-8-17(37)9-7-16)50-33-28(44)26(42)29(14(3)45-33)46-15(4)36/h5-9,11,14,21,23,25-29,33-35,37-39,41-44H,10,12H2,1-4H3/t14-,21+,23+,25-,26-,27+,28+,29-,33-,34+/m0/s1
C34H40O16704.67184200
65779

0 of 16 defined stereocentres - 0/16 defined
InChI=1/C34H40O16/c1-13-15-9-18-33-12-46-34(31(44)45-3,26(33)24(29(43)49-18)50-28(42)14-7-5-4-6-8-14)27(41)23(40)25(33)32(15,2)10-16(19(13)36)47-30-22(39)21(38)20(37)17(11-35)48-30/h4-8,10,13,15,17-18,20-27,30,35,37-41H,9,11-12H2,1-3H3
C34H40O16704.67183300
21781481

1 of 12 defined stereocentres - 1/12 defined
InChI=1/C34H40O16/c1-13(9-45-34-31(41)29(39)28(38)24(50-34)12-47-33-30(40)27(37)17(35)10-46-33)19-7-16-18(48-19)5-4-14-26(36)25-15-6-21(42-2)22(43-3)8-20(15)44-11-23(25)49-32(14)16/h4-6,8,17,19,23-25,27-31,33-35,37-41H,1,7,9-12H2,2-3H3/t17?,19-,23?,24?,25?,27?,28?,29?,30?,31?,33?,34?/m0/s1
C34H40O16704.67183300
7819607

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C34H40O16/c1-13(9-45-34-31(41)29(39)28(38)24(50-34)12-47-33-30(40)27(37)17(35)10-46-33)19-7-16-18(48-19)5-4-14-26(36)25-15-6-21(42-2)22(43-3)8-20(15)44-11-23(25)49-32(14)16/h4-6,8,17,19,23-25,27-31,33-35,37-41H,1,7,9-12H2,2-3H3/t17-,19-,23+,24+,25+,27-,28-,29-,30-,31-,33-,34+/m1/s1
C34H40O16704.67182100
7819608

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C34H40O16/c1-13(9-45-34-31(41)29(39)28(38)24(50-34)12-47-33-30(40)27(37)17(35)10-46-33)19-7-16-18(48-19)5-4-14-26(36)25-15-6-21(42-2)22(43-3)8-20(15)44-11-23(25)49-32(14)16/h4-6,8,17,19,23-25,27-31,33-35,37-41H,1,7,9-12H2,2-3H3/t17-,19-,23-,24+,25-,27-,28-,29-,30-,31-,33-,34+/m1/s1
C34H40O16704.67182100
7819609

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C34H40O16/c1-13(9-45-34-31(41)29(39)28(38)24(50-34)12-47-33-30(40)27(37)17(35)10-46-33)19-7-16-18(48-19)5-4-14-26(36)25-15-6-21(42-2)22(43-3)8-20(15)44-11-23(25)49-32(14)16/h4-6,8,17,19,23-25,27-31,33-35,37-41H,1,7,9-12H2,2-3H3/t17-,19-,23+,24+,25-,27-,28-,29-,30-,31-,33-,34+/m1/s1
C34H40O16704.67182100
8434686

9 of 12 defined stereocentres - 9/12 defined
InChI=1/C34H40O16/c1-13(9-45-34-31(41)29(39)28(38)24(50-34)12-47-33-30(40)27(37)17(35)10-46-33)19-7-16-18(48-19)5-4-14-26(36)25-15-6-21(42-2)22(43-3)8-20(15)44-11-23(25)49-32(14)16/h4-6,8,17,19,23-25,27-31,33-35,37-41H,1,7,9-12H2,2-3H3/t17-,19?,23?,24-,25?,27-,28-,29+,30+,31-,33-,34-/m1/s1
C34H40O16704.67182100
8434687

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C34H40O16/c1-16-26(45-18(3)36)27(46-19(4)37)30(49-22(7)40)33(15-43-17(2)35)29(48-21(6)39)25(41)24-28(47-20(5)38)34(16,33)50-32(24,8)14-44-31(42)23-12-10-9-11-13-23/h9-13,16,24,26-30H,14-15H2,1-8H3/t16-,24-,26-,27+,28-,29-,30+,32+,33-,34-/m1/s1
C34H40O16704.67182100
9333422

14 of 15 defined stereocentres - 14/15 defined
InChI=1/C34H40O16/c1-13-15-9-18-33-12-46-34(31(44)45-3,26(33)24(29(43)48-18)49-28(42)14-7-5-4-6-8-14)27(41)22(40)25(33)32(15,2)10-16(36)23(13)50-30-21(39)20(38)19(37)17(11-35)47-30/h4-8,15,17-22,24-27,30,35,37-41H,9-12H2,1-3H3/t15-,17+,18+,19+,20-,21+,22+,24+,25?,26+,27-,30-,32-,33+,34-/m0/s1
C34H40O16704.67182100
9333423

Double-bond stereo

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C34H40O16/c1-16-25-26(29(27(16)40)49-24(39)13-12-21-10-8-7-9-11-21)22(32(41)42-6)14-44-33(25)50-34-31(47-20(5)38)30(46-19(4)37)28(45-18(3)36)23(48-34)15-43-17(2)35/h7-14,16,23,25-31,33-34,40H,15H2,1-6H3/b13-12+/t16-,23+,25+,26+,27+,28+,29-,30-,31+,33-,34-/m0/s1
C34H40O16704.67182100
9586333

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C34H40O16/c1-13-15-9-18-33-12-46-34(31(44)45-3,26(33)24(29(43)48-18)49-28(42)14-7-5-4-6-8-14)27(41)22(40)25(33)32(15,2)10-16(36)23(13)50-30-21(39)20(38)19(37)17(11-35)47-30/h4-8,15,17-22,24-27,30,35,37-41H,9-12H2,1-3H3/t15-,17+,18+,19+,20-,21+,22+,24+,25+,26+,27-,30-,32-,33+,34-/m0/s1
C34H40O16704.67182100
12

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