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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: C35H48O10 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
83529
InChI=1/C35H48O10/c1-27(2)33(36)44-25-21-40-17-15-38-19-23-42-31-11-7-29(8-12-31)35(5,6)30-9-13-32(14-10-30)43-24-20-39-16-18-41-22-26-45-34(37)28(3)4/h7-14H,1,3,15-26H2,2,4-6H3
C35H48O10628.74968800
8253252

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C35H48O10/c1-19(2)18-42-28-22(5)29(45-33(40)25-13-11-10-12-14-25)30(43-23(6)36)32(44-24(7)37)34(8,9)16-15-20(3)31(39)35(41)17-21(4)27(38)26(28)35/h10-16,19-21,26-30,32,38,41H,5,17-18H2,1-4,6-9H3/b16-15+/t20-,21-,26+,27-,28-,29-,30+,32+,35+/m0/s1
C35H48O10628.74964300
8547243

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C35H48O10/c1-9-22(2)19-23(3)15-18-30(38)45-34(28(35(41)43-8)21-31(39)42-7)32(40)29(37)17-16-24(4)33(44-26(6)36)25(5)20-27-13-11-10-12-14-27/h10-15,18,21-23,25,32-34,40H,4,9,16-17,19-20H2,1-3,5-8H3/b18-15+,28-21-/t22-,23+,25+,32-,33+,34-/m0/s1
C35H48O10628.74962100
8659528

Double-bond stereo

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C35H48O10/c1-9-22(2)19-23(3)15-18-30(38)45-34(32(40)28(35(41)43-8)21-31(39)42-7)29(37)17-16-24(4)33(44-26(6)36)25(5)20-27-13-11-10-12-14-27/h10-15,18,21-23,25,32-34,40H,4,9,16-17,19-20H2,1-3,5-8H3/b18-15+,28-21-/t22-,23+,25+,32?,33+,34?/m0/s1
C35H48O10628.74962100
8731354

15 of 16 defined stereocentres - 15/16 defined
InChI=1/C35H48O10/c1-16-12-35(27-32(6,44-27)28(40)45-35)43-18-13-31(5)20-8-7-19-29(2,3)22(42-26-25(39)24(38)17(36)14-41-26)11-21(37)34(19)15-33(20,34)10-9-30(31,4)23(16)18/h8,16-19,22-27,36,38-39H,7,9-15H2,1-6H3/t16-,17-,18+,19?,22+,23+,24+,25-,26+,27-,30-,31+,32+,33+,34-,35-/m1/s1
C35H48O10628.74962100
9105443

Double-bond stereo

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C35H48O10/c1-20-7-12-30-35(4,45-30)29(36)18-27(44-34(38)33-28(43-33)16-24-15-26(20)42-31(37)17-24)22(3)32(40-6)21(2)13-14-41-19-23-8-10-25(39-5)11-9-23/h7-13,20,22,24,26-30,32-33,36H,14-19H2,1-6H3/b12-7+,21-13+/t20-,22+,24+,26-,27+,28-,29+,30-,32+,33-,35-/m1/s1
C35H48O10628.74962100
28497558
InChI=1/C35H48O10/c1-10-19(24-30(40)26(20(36)11-15(2)3)34(44)27(31(24)41)21(37)12-16(4)5)25-32(42)28(22(38)13-17(6)7)35(45)29(33(25)43)23(39)14-18(8)9/h15-19,40-45H,10-14H2,1-9H3
C35H48O10628.74962200
23279489

Double-bond stereo

12 of 13 defined stereocentres - 12/13 defined
InChI=1/C35H48O10/c1-9-17(2)31(40)45-30-28-29-32(5,16-42-28)24(38)14-26(44-19(4)37)35(29,8)23-13-25(43-18(3)36)33(6)21(20-12-27(39)41-15-20)10-11-22(33)34(23,30)7/h9,11,20-21,23-26,28-30,38H,10,12-16H2,1-8H3/b17-9-/t20?,21-,23-,24+,25-,26-,28+,29-,30+,32+,33-,34-,35-/m0/s1
C35H48O10628.74962200
24663669

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C35H48O10/c1-9-17(3)31(38)45-30-28-29-33(6,16-42-28)25(43-19(5)36)15-24(37)34(29,7)23-14-26(40-10-2)44-22-13-21(20-11-12-41-32(20)39)18(4)27(22)35(23,30)8/h9,11,21-26,28-30,37H,10,12-16H2,1-8H3/b17-9+/t21-,22+,23-,24+,25-,26-,28-,29+,30-,33-,34+,35-/m1/s1
C35H48O10628.74962200
128440255

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C35H48O10/c1-7-9-11-12-13-14-15-17-32-43-29-25-28-31(19-36,42-28)30(39)33(40)23(18-21(5)26(33)38)35(25,45-32)22(6)27(34(29,44-32)20(3)4)41-24(37)16-10-8-2/h13-15,17-18,22-23,25,27-30,36,39-40H,3,7-12,16,19H2,1-2,4-6H3/b14-13+,17-15+/t22-,23-,25+,27-,28+,29-,30-,31+,32-,33-,34+,35+/m1/s1
C35H48O10628.74962200
28283958

Double-bond stereo

10 of 13 defined stereocentres - 10/13 defined
InChI=1/C35H48O10/c1-9-17(2)31(40)45-30-28-29-32(5,16-42-28)24(38)14-26(44-19(4)37)35(29,8)23-13-25(43-18(3)36)33(6)21(20-12-27(39)41-15-20)10-11-22(33)34(23,30)7/h9,11,20-21,23-26,28-30,38H,10,12-16H2,1-8H3/b17-9+/t20?,21-,23?,24+,25-,26-,28?,29-,30+,32+,33-,34-,35-/m0/s1
C35H48O10628.74961100
30905070

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C35H48O10/c1-35-31(20-27(37)29(45-35)14-15-32-40-17-18-41-32)43-30-19-26(36)28(9-6-16-39-21-24-10-12-25(38-2)13-11-24)44-33(30)34(35)42-22-23-7-4-3-5-8-23/h3-5,7-8,10-13,26-34,36-37H,6,9,14-22H2,1-2H3/t26-,27+,28+,29-,30+,31-,33+,34-,35-/m0/s1
C35H48O10628.74961100
32679576

Double-bond stereo

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C35H48O10/c1-19-26(45-27(39)14-13-24-11-9-8-10-12-24)15-16-33(6)28(19)30(42-21(3)36)25-17-35(40)20(2)29(34(25,7)18-41-35)31(43-22(4)37)32(33)44-23(5)38/h13-14,24-26,28,30-32,40H,1,8-12,15-18H2,2-7H3/b14-13+
C35H48O10628.74961100
32679577

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C35H48O10/c1-20(36)42-29-25-18-26(39)34(7)35(45-34,32(25,4)5)31(44-22(3)38)30(43-21(2)37)33(6)17-11-14-24(28(29)33)19-41-27(40)16-15-23-12-9-8-10-13-23/h14-16,23,25,28-31H,8-13,17-19H2,1-7H3/b16-15+/t25-,28-,29+,30-,31-,33+,34+,35-/m0/s1
C35H48O10628.74961100
57495404

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C35H48O10/c1-7-33(38)44-23-29(36)21-40-17-25(3)19-42-31-13-9-27(10-14-31)35(5,6)28-11-15-32(16-12-28)43-20-26(4)18-41-22-30(37)24-45-34(39)8-2/h7-16,25-26,29-30,36-37H,1-2,17-24H2,3-6H3
C35H48O10628.74961100
58122068

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C35H48O10/c1-19(2)18-42-28-22(5)29(45-33(40)25-13-11-10-12-14-25)30(43-23(6)36)32(44-24(7)37)34(8,9)16-15-20(3)31(39)35(41)17-21(4)27(38)26(28)35/h10-16,19-21,26-30,32,38,41H,5,17-18H2,1-4,6-9H3/b16-15-/t20-,21-,26+,27-,28-,29-,30+,32+,35+/m0/s1
C35H48O10628.74961100
17267239

Double-bond stereo

12 of 13 defined stereocentres - 12/13 defined
InChI=1/C35H48O10/c1-9-17(2)31(40)45-30-28-29-32(5,16-42-28)24(38)14-26(44-19(4)37)35(29,8)23-13-25(43-18(3)36)33(6)21(20-12-27(39)41-15-20)10-11-22(33)34(23,30)7/h9,11,20-21,23-26,28-30,38H,10,12-16H2,1-8H3/b17-9+/t20?,21-,23-,24+,25-,26-,28+,29-,30+,32+,33-,34-,35-/m0/s1
C35H48O10628.74961100

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