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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 52 results

Search term: C35H49NO10 (Found by molecular formula)
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
32696701

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C35H49NO10/c1-31(2,3)32(4,42)20-15-33-10-11-35(20,43-5)30-34(33)12-13-36(16-17-6-7-17)21(33)14-18-8-9-19(26(46-30)22(18)34)44-29-25(39)23(37)24(38)27(45-29)28(40)41/h8-9,17,20-21,23-25,27,29-30,37-39,42H,6-7,10-16H2,1-5H3,(H,40,41)/t20-,21-,23+,24+,25-,27+,29-,30-,32+,33-,34+,35-/m1/s1
C35H49NO10643.7643141600
22871460

12 of 13 defined stereocentres - 12/13 defined
InChI=1/C35H49NO10/c1-8-36-17-32(18-40-3)14-13-23(42-5)35-22-15-33(39)24(43-6)16-34(46-19(2)37,26(29(35)36)27(44-7)28(32)35)25(22)30(33)45-31(38)20-9-11-21(41-4)12-10-20/h9-12,22-30,39H,8,13-18H2,1-7H3/t22-,23+,24+,25-,26?,27+,28-,29-,30-,32+,33+,34-,35+/m1/s1
C35H49NO10643.764312800
138632

0 of 13 defined stereocentres - 0/13 defined
InChI=1/C35H49NO10/c1-8-36-17-32(18-40-3)14-13-23(42-5)35-22-15-33(39)24(43-6)16-34(46-19(2)37,26(29(35)36)27(44-7)28(32)35)25(22)30(33)45-31(38)20-9-11-21(41-4)12-10-20/h9-12,22-30,39H,8,13-18H2,1-7H3
C35H49NO10643.764310600
113341

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C35H49NO10/c1-31(2,3)32(4,42)21-15-33-8-9-35(21,43-5)30-34(33)10-11-36(16-17-6-7-17)22(33)13-18-12-19(14-20(45-30)23(18)34)44-29-26(39)24(37)25(38)27(46-29)28(40)41/h12,14,17,21-22,24-27,29-30,37-39,42H,6-11,13,15-16H2,1-5H3,(H,40,41)/t21-,22-,24+,25+,26-,27+,29-,30-,32+,33-,34+,35-/m1/s1
C35H49NO10643.76438500
4442454

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C35H49NO10/c1-3-5-7-10-13-16-27(37)17-14-11-8-9-12-15-18-29(35(45,34(43)44)25-31(38)39)32(40)36-30(33(41)42)24-26-19-21-28(22-20-26)46-23-6-4-2/h15,18-22,29-30,45H,3,5,7-14,16-17,23-25H2,1-2H3,(H,36,40)(H,38,39)(H,41,42)(H,43,44)/b18-15+/t29-,30+,35+/m1/s1
C35H49NO10643.7642599999987700
10227251

12 of 13 defined stereocentres - 12/13 defined
InChI=1/C35H49NO10/c1-8-36-17-32(18-40-3)14-13-23(42-5)35-22-15-33(39)24(43-6)16-34(46-19(2)37,26(29(35)36)27(44-7)28(32)35)25(22)30(33)45-31(38)20-9-11-21(41-4)12-10-20/h9-12,22-30,39H,8,13-18H2,1-7H3/t22-,23+,24+,25-,26+,27+,28-,29?,30-,32+,33+,34-,35+/m1/s1
C35H49NO10643.76436600
17469630

3 of 8 defined stereocentres - 3/8 defined
InChI=1/C35H49NO10/c1-32(2)17-20(11-14-46-32)25(16-29(41)42)36-28(40)7-8-30(43)45-19-27(39)35(44)13-10-24-23-6-5-21-15-22(37)9-12-33(21,3)31(23)26(38)18-34(24,35)4/h15,20,23-25,31,44H,5-14,16-19H2,1-4H3,(H,36,40)(H,41,42)/t20?,23?,24?,25?,31?,33-,34-,35-/m0/s1
C35H49NO10643.76435100
30778609

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C35H49NO10/c1-31(2,3)32(4,42)20-15-33-10-11-35(20,43-5)30-34(33)12-13-36(16-17-6-7-17)21(33)14-18-8-9-19(26(46-30)22(18)34)44-29-25(39)23(37)24(38)27(45-29)28(40)41/h8-9,17,20-21,23-25,27,29-30,37-39,42H,6-7,10-16H2,1-5H3,(H,40,41)/t20-,21-,23+,24+,25-,27+,29-,30-,32-,33-,34+,35-/m1/s1
C35H49NO10643.76435500
58801479

12 of 13 defined stereocentres - 12/13 defined
InChI=1/C35H49NO10/c1-8-36-17-32(18-40-3)14-13-23(42-5)35-22-15-33(39)24(43-6)16-34(46-19(2)37,26(29(35)36)27(44-7)28(32)35)25(22)30(33)45-31(38)20-9-11-21(41-4)12-10-20/h9-12,22-30,39H,8,13-18H2,1-7H3/t22-,23+,24+,25-,26-,27+,28-,29?,30-,32+,33+,34-,35+/m1/s1
C35H49NO10643.76433300
62796143

12 of 13 defined stereocentres - 12/13 defined
InChI=1/C35H49NO10/c1-8-36-17-32(18-40-3)14-13-23(42-5)35-22-15-33(39)24(43-6)16-34(46-19(2)37,26(29(35)36)27(44-7)28(32)35)25(22)30(33)45-31(38)20-9-11-21(41-4)12-10-20/h9-12,22-30,39H,8,13-18H2,1-7H3/t22-,23+,24+,25-,26+,27+,28-,29-,30-,32+,33+,34?,35+/m1/s1
C35H49NO10643.76432200
64863067

11 of 13 defined stereocentres - 11/13 defined
InChI=1/C35H49NO10/c1-8-36-17-32(18-40-3)14-13-23(42-5)35-22-15-33(39)24(43-6)16-34(46-19(2)37,26(29(35)36)27(44-7)28(32)35)25(22)30(33)45-31(38)20-9-11-21(41-4)12-10-20/h9-12,22-30,39H,8,13-18H2,1-7H3/t22-,23+,24+,25-,26?,27+,28-,29-,30-,32+,33?,34-,35+/m1/s1
C35H49NO10643.76432300
118209684

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C35H49NO10/c1-8-36-17-32(18-40-3)14-13-23(42-5)35-22-15-33(39)24(43-6)16-34(46-19(2)37,26(29(35)36)27(44-7)28(32)35)25(22)30(33)45-31(38)20-9-11-21(41-4)12-10-20/h9-12,22-30,39H,8,13-18H2,1-7H3/t22-,23+,24+,25-,26+,27+,28-,29-,30-,32+,33+,34-,35+/m1/s1
C35H49NO10643.76432200
26381174

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C35H49NO10/c1-36(25-11-15-27(16-12-25)46-35(38)23-20-30(41-4)34(44-7)31(21-23)42-5)24-9-13-26(14-10-24)45-32(37)17-8-22-18-28(39-2)33(43-6)29(19-22)40-3/h18-21,24-27H,8-17H2,1-7H3/t24-,25-,26-,27-
C35H49NO10643.76432200
4475259

7 of 13 defined stereocentres - 7/13 defined
InChI=1/C35H49NO10/c1-8-36-17-32(18-40-3)14-13-23(42-5)35-22-15-33(39)24(43-6)16-34(46-19(2)37,26(29(35)36)27(44-7)28(32)35)25(22)30(33)45-31(38)20-9-11-21(41-4)12-10-20/h9-12,22-30,39H,8,13-18H2,1-7H3/t22-,23?,24+,25-,26?,27?,28-,29?,30?,32+,33+,34-,35?/m1/s1
C35H49NO10643.76432200
4932223

10 of 12 defined stereocentres - 10/12 defined
InChI=1/C35H49NO10/c1-31(2,3)32(4,42)20-15-33-10-11-35(20,43-5)30-34(33)12-13-36(16-17-6-7-17)21(33)14-18-8-9-19(26(46-30)22(18)34)44-29-25(39)23(37)24(38)27(45-29)28(40)41/h8-9,17,20-21,23-25,27,29-30,37-39,42H,6-7,10-16H2,1-5H3,(H,40,41)/t20-,21-,23+,24+,25-,27+,29?,30-,32+,33-,34+,35?/m1/s1
C35H49NO10643.76432200
8071376

11 of 14 defined stereocentres - 11/14 defined
InChI=1/C35H49NO10/c1-8-36-16-33(17-40-3)14-13-23(42-5)34-22-15-21-26(45-32(39)19-9-11-20(41-4)12-10-19)24(22)35(46-18(2)37,31(38)27(21)43-6)25(30(34)36)28(44-7)29(33)34/h9-12,21-31,38H,8,13-17H2,1-7H3/t21-,22+,23-,24+,25+,26-,27?,28-,29?,30?,31-,33-,34-,35+/m0/s1
C35H49NO10643.76432100
45193

10 of 15 defined stereocentres - 10/15 defined
InChI=1/C35H49NO10/c1-17-5-10-25-32(3,41)27-19(16-36(25)15-17)20-14-33-24(34(20,42)29(39)28(27)38)9-8-23-31(33,2)12-11-26(35(23,43)46-33)45-30(40)18-6-7-21(37)22(13-18)44-4/h6-7,13,17,19-20,23-29,37-39,41-43H,5,8-12,14-16H2,1-4H3/t17-,19?,20?,23?,24?,25-,26-,27?,28+,29-,31-,32+,33+,34-,35+/m0/s1
C35H49NO10643.76432200
4145600

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C35H49NO10/c1-32(2)17-20(11-14-46-32)25(16-29(41)42)36-28(40)7-8-30(43)45-19-27(39)35(44)13-10-24-23-6-5-21-15-22(37)9-12-33(21,3)31(23)26(38)18-34(24,35)4/h15,20,23-25,31,44H,5-14,16-19H2,1-4H3,(H,36,40)(H,41,42)
C35H49NO10643.7642599999982100
4146395

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C35H49NO10/c1-32(2)17-20(11-14-46-32)25(16-29(41)42)36-28(40)7-8-30(43)45-19-27(39)35(44)13-10-24-23-6-5-21-15-22(37)9-12-33(21,3)31(23)26(38)18-34(24,35)4/h9,12,15,20,23-26,31,38,44H,5-8,10-11,13-14,16-19H2,1-4H3,(H,36,40)(H,41,42)
C35H49NO10643.7642599999982100
123

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