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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 23 results

Search term: C34H59N3O9 (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9437321

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C34H59N3O9/c1-16-22(12)25-34(43)46-27(20(8)9)30(39)36(14)23(17(2)3)32(41)44-26(19(6)7)29(38)35(13)24(18(4)5)33(42)45-28(21(10)11)31(40)37(25)15/h17-28H,16H2,1-15H3/t22-,23-,24-,25-,26+,27+,28+/m0/s1
C34H59N3O9653.847334400
410817

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C34H59N3O9/c1-16-22(12)25-34(43)46-27(20(8)9)30(39)36(14)23(17(2)3)32(41)44-26(19(6)7)29(38)35(13)24(18(4)5)33(42)45-28(21(10)11)31(40)37(25)15/h17-28H,16H2,1-15H3/t22?,23-,24-,25-,26+,27+,28+/m0/s1
C34H59N3O9653.84713800
2280008

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C34H59N3O9/c1-17(2)16-23-32(41)44-27(21(9)10)30(39)36(14)25(19(5)6)34(43)46-28(22(11)12)31(40)37(15)24(18(3)4)33(42)45-26(20(7)8)29(38)35(23)13/h17-28H,16H2,1-15H3/t23-,24-,25-,26+,27+,28+/m0/s1
C34H59N3O9653.84696121100
154226

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C34H59N3O9/c1-16-22(12)25-34(43)46-27(20(8)9)30(39)36(14)23(17(2)3)32(41)44-26(19(6)7)29(38)35(13)24(18(4)5)33(42)45-28(21(10)11)31(40)37(25)15/h17-28H,16H2,1-15H3
C34H59N3O9653.8476400
9279395

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C34H59N3O9/c1-16-22(12)28-31(40)37(15)24(18(4)5)33(42)45-26(20(8)9)29(38)35(13)23(17(2)3)32(41)44-27(21(10)11)30(39)36(14)25(19(6)7)34(43)46-28/h17-28H,16H2,1-15H3/t22-,23-,24-,25-,26+,27+,28+/m0/s1
C34H59N3O9653.8473200
16367959

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C34H59N3O9/c1-17(2)16-23-32(41)44-27(21(9)10)30(39)36(14)25(19(5)6)34(43)46-28(22(11)12)31(40)37(15)24(18(3)4)33(42)45-26(20(7)8)29(38)35(23)13/h17-28H,16H2,1-15H3
C34H59N3O9653.8473300
21433398

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C34H59N3O9/c1-17(2)16-23-29(38)35(13)25(19(5)6)33(42)45-28(22(11)12)31(40)37(15)26(20(7)8)34(43)46-27(21(9)10)30(39)36(14)24(18(3)4)32(41)44-23/h17-28H,16H2,1-15H3
C34H59N3O9653.8472200
24666977

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C34H59N3O9/c1-22-13-14-25-23(2)26(41-28-34(25)24(22)15-16-33(9,42-28)45-46-34)21-27(38)37(20-12-18-36-30(40)44-32(6,7)8)19-11-10-17-35-29(39)43-31(3,4)5/h22-26,28H,10-21H2,1-9H3,(H,35,39)(H,36,40)/t22-,23-,24+,25+,26-,28-,33-,34-/m1/s1
C34H59N3O9653.8472200
24669637

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C34H59N3O9/c1-22-13-14-25-23(2)26(41-28-34(25)24(22)15-16-33(9,42-28)45-46-34)21-27(38)35-18-12-20-37(30(40)44-32(6,7)8)19-11-10-17-36-29(39)43-31(3,4)5/h22-26,28H,10-21H2,1-9H3,(H,35,38)(H,36,39)/t22-,23-,24+,25+,26-,28-,33-,34-/m1/s1
C34H59N3O9653.8472200
24669812

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C34H59N3O9/c1-22-13-14-25-23(2)26(41-28-34(25)24(22)15-16-33(9,42-28)45-46-34)21-27(38)35-17-10-11-19-37(30(40)44-32(6,7)8)20-12-18-36-29(39)43-31(3,4)5/h22-26,28H,10-21H2,1-9H3,(H,35,38)(H,36,39)/t22-,23-,24+,25+,26-,28-,33-,34-/m1/s1
C34H59N3O9653.8472200
38236410

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C34H59N3O9/c1-16-22(12)25-34(43)46-27(20(8)9)30(39)36(14)23(17(2)3)32(41)44-26(19(6)7)29(38)35(13)24(18(4)5)33(42)45-28(21(10)11)31(40)37(25)15/h17-28H,16H2,1-15H3/t22-,23+,24+,25-,26-,27-,28-/m1/s1
C34H59N3O9653.8472200
58915266

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C34H59N3O9/c1-23(2)17-15-13-11-9-7-8-10-12-14-16-18-24(3)31-25(4)32(42)35-26(22-38)19-20-28(40)37(5)21-27(39)36-29(33(43)46-31)30(41)34(44)45-6/h19-20,23-26,29-31,38,41H,7-18,21-22H2,1-6H3,(H,35,42)(H,36,39)/b20-19+/t24-,25+,26-,29+,30+,31+/m1/s1
C34H59N3O9653.8472200
2280011

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C34H59N3O9/c1-17(2)16-23-29(38)35(13)25(19(5)6)33(42)45-28(22(11)12)31(40)37(15)26(20(7)8)34(43)46-27(21(9)10)30(39)36(14)24(18(3)4)32(41)44-23/h17-28H,16H2,1-15H3/t23-,24+,25+,26+,27-,28-/m1/s1
C34H59N3O9653.8469599999982200
8502426

4 of 7 defined stereocentres - 4/7 defined
InChI=1/C34H59N3O9/c1-16-22(12)25-34(43)46-27(20(8)9)30(39)36(14)23(17(2)3)32(41)44-26(19(6)7)29(38)35(13)24(18(4)5)33(42)45-28(21(10)11)31(40)37(25)15/h17-28H,16H2,1-15H3/t22-,23-,24-,25-,26?,27?,28?/m0/s1
C34H59N3O9653.8472100
8524777

3 of 6 defined stereocentres - 3/6 defined
InChI=1/C34H59N3O9/c1-17(2)16-23-32(41)44-27(21(9)10)30(39)36(14)25(19(5)6)34(43)46-28(22(11)12)31(40)37(15)24(18(3)4)33(42)45-26(20(7)8)29(38)35(23)13/h17-28H,16H2,1-15H3/t23-,24-,25-,26?,27?,28?/m0/s1
C34H59N3O9653.8472100
9062106

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C34H59N3O9/c1-15-20(8)24-32(41)44-23(11)29(38)35(12)25(21(9)16-2)33(42)45-28(19(6)7)31(40)37(14)26(22(10)17-3)34(43)46-27(18(4)5)30(39)36(24)13/h18-28H,15-17H2,1-14H3/t20-,21-,22-,23+,24-,25-,26-,27+,28+/m0/s1
C34H59N3O9653.8472100
9072874

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C34H59N3O9/c1-13-24-34(9)28-20(5)25(35-18(3)16-37(28)32(41)46-34)17(2)15-33(8,42-12)29(21(6)26(38)22(7)30(40)44-24)45-31-27(39)23(36(10)11)14-19(4)43-31/h17-24,26-29,31,38-39H,13-16H2,1-12H3/t17-,18+,19-,20+,21+,22-,23+,24+,26+,27-,28-,29-,31+,33-,34-/m1/s1
C34H59N3O9653.8472100
9236465

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C34H59N3O9/c1-13-24-34(9)28-20(5)25(35-18(3)16-37(28)32(41)46-34)17(2)15-33(8,42-12)29(21(6)26(38)22(7)30(40)44-24)45-31-27(39)23(36(10)11)14-19(4)43-31/h17-24,26-29,31,38-39H,13-16H2,1-12H3/t17-,18-,19-,20+,21+,22-,23+,24+,26+,27-,28-,29-,31+,33-,34-/m1/s1
C34H59N3O9653.8472100
95682880

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C34H59N3O9/c1-16-22(12)25-34(43)46-27(20(8)9)30(39)36(14)23(17(2)3)32(41)44-26(19(6)7)29(38)35(13)24(18(4)5)33(42)45-28(21(10)11)31(40)37(25)15/h17-22,38-43H,16H2,1-15H3/b29-26+,30-27+,31-28+,32-23-,33-24-,34-25-
C34H59N3O9653.8471100
113611231

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C34H59N3O9/c1-16-22(12)25-34(43)46-27(20(8)9)30(39)36(14)23(17(2)3)32(41)44-26(19(6)7)29(38)35(13)24(18(4)5)33(42)45-28(21(10)11)31(40)37(25)15/h17-28H,16H2,1-15H3/t22?,23-,24-,25+,26+,27+,28+/m0/s1
C34H59N3O9653.8471100
12

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