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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 20 results

Search term: C34H47NO12 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
390310

14 of 15 defined stereocentres - 14/15 defined
InChI=1/C34H47NO12/c1-7-35-15-30(16-42-3)19(37)13-20(43-4)33-23(30)22(44-5)21(25(33)35)34(47-17(2)36)24-27(46-29(39)18-11-9-8-10-12-18)31(40,14-32(24,33)41)28(45-6)26(34)38/h8-12,19-28,37-38,40-41H,7,13-16H2,1-6H3/t19-,20+,21+,22+,23-,24+,25?,26+,27-,28+,30+,31-,32+,33-,34+/m1/s1
C34H47NO12661.7365121200
21341584

13 of 15 defined stereocentres - 13/15 defined
InChI=1/C34H47NO12/c1-7-35-15-30(16-42-3)19(37)13-20(43-4)33-23(30)22(44-5)21(25(33)35)34(47-17(2)36)24-27(46-29(39)18-11-9-8-10-12-18)31(40,14-32(24,33)41)28(45-6)26(34)38/h8-12,19-28,37-38,40-41H,7,13-16H2,1-6H3/t19-,20+,21+,22+,23?,24?,25-,26+,27-,28+,30+,31-,32+,33-,34+/m1/s1
C34H47NO12661.73659600
22874990

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C34H47NO12/c1-7-35-15-30(16-42-3)19(37)13-20(43-4)33-23(30)22(44-5)21(25(33)35)34(47-17(2)36)24-27(46-29(39)18-11-9-8-10-12-18)31(40,14-32(24,33)41)28(45-6)26(34)38/h8-12,19-28,37-38,40-41H,7,13-16H2,1-6H3/t19-,20+,21+,22+,23-,24+,25-,26+,27-,28+,30+,31-,32+,33-,34+/m1/s1
C34H47NO12661.73658700
2978187

0 of 15 defined stereocentres - 0/15 defined
InChI=1/C34H47NO12/c1-7-35-15-30(16-42-3)19(37)13-20(43-4)33-23(30)22(44-5)21(25(33)35)34(47-17(2)36)24-27(46-29(39)18-11-9-8-10-12-18)31(40,14-32(24,33)41)28(45-6)26(34)38/h8-12,19-28,37-38,40-41H,7,13-16H2,1-6H3
C34H47NO12661.7364799999983200
4932292

9 of 15 defined stereocentres - 9/15 defined
InChI=1/C34H47NO12/c1-7-35-15-30(16-42-3)19(37)13-20(43-4)33-23(30)22(44-5)21(25(33)35)34(47-17(2)36)24-27(46-29(39)18-11-9-8-10-12-18)31(40,14-32(24,33)41)28(45-6)26(34)38/h8-12,19-28,37-38,40-41H,7,13-16H2,1-6H3/t19-,20+,21+,22+,23?,24?,25?,26+,27?,28+,30+,31?,32?,33-,34+/m1/s1
C34H47NO12661.73653300
82963985

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C34H47NO12/c1-7-35-15-30(16-42-3)19(37)13-20(43-4)33-23(30)22(44-5)21(25(33)35)34(47-17(2)36)24-27(46-29(39)18-11-9-8-10-12-18)31(40,14-32(24,33)41)28(45-6)26(34)38/h8-12,19-28,37-38,40-41H,7,13-16H2,1-6H3/t19-,20+,21-,22+,23-,24+,25-,26+,27-,28+,30+,31-,32+,33+,34+/m1/s1
C34H47NO12661.73652200
82965774

14 of 15 defined stereocentres - 14/15 defined
InChI=1/C34H47NO12/c1-7-35-15-30(16-42-3)19(37)13-20(43-4)33-23(30)22(44-5)21(25(33)35)34(47-17(2)36)24-27(46-29(39)18-11-9-8-10-12-18)31(40,14-32(24,33)41)28(45-6)26(34)38/h8-12,19-28,37-38,40-41H,7,13-16H2,1-6H3/t19-,20+,21+,22+,23-,24+,25?,26+,27-,28+,30+,31+,32+,33-,34+/m0/s1
C34H47NO12661.73652200
28505968

14 of 15 defined stereocentres - 14/15 defined
InChI=1/C34H47NO12/c1-17(36)46-19-13-20(42-4)33-23-22(43-5)21(25(33)35(2)15-30(19,23)16-41-3)34(45-7)24-27(47-29(38)18-11-9-8-10-12-18)31(39,14-32(24,33)40)28(44-6)26(34)37/h8-12,19-28,37,39-40H,13-16H2,1-7H3/t19-,20+,21+,22+,23-,24+,25?,26+,27-,28+,30+,31-,32+,33-,34+/m1/s1
C34H47NO12661.73652200
31115645

14 of 15 defined stereocentres - 14/15 defined
InChI=1/C34H47NO12/c1-7-35-15-30(16-42-3)19(37)13-20(43-4)33-23(30)22(44-5)21(25(33)35)34(47-17(2)36)24-27(46-29(39)18-11-9-8-10-12-18)31(40,14-32(24,33)41)28(45-6)26(34)38/h8-12,19-28,37-38,40-41H,7,13-16H2,1-6H3/t19-,20+,21-,22+,23-,24+,25?,26+,27-,28+,30+,31-,32+,33-,34+/m1/s1
C34H47NO12661.73652200
2302257

12 of 15 defined stereocentres - 12/15 defined
InChI=1/C34H47NO12/c1-7-35-15-30(16-42-3)19(37)13-20(43-4)33-23(30)22(44-5)21(25(33)35)34(47-17(2)36)24-27(46-29(39)18-11-9-8-10-12-18)31(40,14-32(24,33)41)28(45-6)26(34)38/h8-12,19-28,37-38,40-41H,7,13-16H2,1-6H3/t19-,20+,21?,22+,23-,24+,25?,26+,27-,28+,30+,31+,32-,33?,34+/m1/s1
C34H47NO12661.7364799999982200
58817203

13 of 15 defined stereocentres - 13/15 defined
InChI=1/C34H47NO12/c1-7-35-15-30(16-42-3)19(37)13-20(43-4)33-23(30)22(44-5)21(25(33)35)34(47-17(2)36)24-27(46-29(39)18-11-9-8-10-12-18)31(40,14-32(24,33)41)28(45-6)26(34)38/h8-12,19-28,37-38,40-41H,7,13-16H2,1-6H3/t19-,20+,21+,22+,23-,24+,25?,26+,27-,28+,30+,31+,32?,33-,34+/m1/s1
C34H47NO12661.73651100
64849981

13 of 15 defined stereocentres - 13/15 defined
InChI=1/C34H47NO12/c1-7-35-15-30(16-42-3)19(37)13-20(43-4)33-23(30)22(44-5)21(25(33)35)34(47-17(2)36)24-27(46-29(39)18-11-9-8-10-12-18)31(40,14-32(24,33)41)28(45-6)26(34)38/h8-12,19-28,37-38,40-41H,7,13-16H2,1-6H3/t19-,20+,21?,22+,23-,24+,25-,26+,27-,28+,30+,31?,32+,33-,34+/m1/s1
C34H47NO12661.73651200
66424480

13 of 15 defined stereocentres - 13/15 defined
InChI=1/C34H47NO12/c1-7-35-15-30(16-42-3)20(37)13-21(43-4)32-19-14-31(40)27(45-6)26(38)34(47-17(2)36,22(25(32)35)23(44-5)24(30)32)33(19,41)29(31)46-28(39)18-11-9-8-10-12-18/h8-12,19-27,29,37-38,40-41H,7,13-16H2,1-6H3/t19-,20+,21-,22+,23-,24?,25?,26-,27-,29-,30-,31-,32+,33-,34+/m0/s1
C34H47NO12661.736514100
76962563

13 of 15 defined stereocentres - 13/15 defined
InChI=1/C34H47NO12/c1-7-35-15-30(16-42-3)19(37)13-20(43-4)33-23(30)22(44-5)21(25(33)35)34(47-17(2)36)24-27(46-29(39)18-11-9-8-10-12-18)31(40,14-32(24,33)41)28(45-6)26(34)38/h8-12,19-28,37-38,40-41H,7,13-16H2,1-6H3/t19-,20+,21+,22+,23?,24+,25?,26+,27-,28+,30+,31-,32+,33-,34+/m1/s1
C34H47NO12661.73651100
84393813

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C34H47NO12/c1-7-35-15-30(16-42-3)19(37)13-20(43-4)33-23(30)22(44-5)21(25(33)35)34(47-17(2)36)24-27(46-29(39)18-11-9-8-10-12-18)31(40,14-32(24,33)41)28(45-6)26(34)38/h8-12,19-28,37-38,40-41H,7,13-16H2,1-6H3/t19-,20+,21+,22+,23-,24+,25-,26+,27-,28+,30+,31+,32+,33-,34+/m1/s1
C34H47NO12661.73651100
115053031

14 of 15 defined stereocentres - 14/15 defined
InChI=1/C34H47NO12/c1-7-35-15-30(16-42-3)19(37)13-20(43-4)33-23(30)22(44-5)21(25(33)35)34(47-17(2)36)24-27(46-29(39)18-11-9-8-10-12-18)31(40,14-32(24,33)41)28(45-6)26(34)38/h8-12,19-28,37-38,40-41H,7,13-16H2,1-6H3/t19-,20+,21-,22?,23-,24+,25-,26+,27-,28+,30+,31-,32+,33+,34+/m1/s1
C34H47NO12661.73651100
10252336

15 of 16 defined stereocentres - 15/16 defined
InChI=1/C34H47NO12/c1-7-35-14-31(15-42-3)23-22(43-4)20-24(35)33(23,28(44-5)21(37)25(31)38)18-13-32(41)27(46-30(40)17-11-9-8-10-12-17)19(18)34(20,47-16(2)36)26(39)29(32)45-6/h8-12,18-29,37-39,41H,7,13-15H2,1-6H3/t18-,19-,20+,21-,22+,23-,24?,25-,26+,27-,28+,29+,31-,32-,33+,34-/m1/s1
C34H47NO12661.73651100
17463551

10 of 15 defined stereocentres - 10/15 defined
InChI=1/C34H47NO12/c1-7-35-15-30(16-42-3)19(37)13-20(43-4)33-23(30)22(44-5)21(25(33)35)34(47-17(2)36)24-27(46-29(39)18-11-9-8-10-12-18)31(40,14-32(24,33)41)28(45-6)26(34)38/h8-12,19-28,37-38,40-41H,7,13-16H2,1-6H3/t19-,20+,21+,22?,23?,24?,25?,26+,27?,28+,30+,31-,32+,33-,34+/m1/s1
C34H47NO12661.73651100

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