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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 22 results

Search term: C38H60O11 (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9236615

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C38H60O11/c1-11-15-26(40)46-25-20-37(9)24(19-22(7)32(44)34(45-23(8)39)35(37)48-28(42)17-13-3)31-30(21(5)6)33(47-27(41)16-12-2)36(38(25,31)10)49-29(43)18-14-4/h19,21,24-25,30-36,44H,11-18,20H2,1-10H3/t24-,25+,30-,31+,32+,33-,34+,35-,36+,37-,38+/m1/s1
C38H60O11692.87646500
341044

9 of 12 defined stereocentres - 9/12 defined
InChI=1/C38H60O11/c1-20(39)47-31-25(48-30(43)19-35(6,46)18-29(41)42)17-36(7)24-16-27(40)38(9)22(21-10-13-28(34(4,5)45)49-32(21)44)14-15-37(38,8)23(24)11-12-26(36)33(31,2)3/h21-22,25-28,31-32,40,44-46H,10-19H2,1-9H3,(H,41,42)/t21-,22-,25-,26?,27+,28-,31+,32?,35?,36-,37+,38+/m1/s1
C38H60O11692.87645400
8253932

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C38H60O11/c1-18(2)19(3)38(10)26(41)16-37(9)22-11-12-25-34(5,6)31(49-33-29(44)28(43)27(42)24(17-39)48-33)23(47-20(4)40)15-35(25,7)21(22)13-14-36(37,8)30(38)32(45)46/h18-19,23-25,27-31,33,39,42-44H,11-17H2,1-10H3,(H,45,46)/t19-,23-,24-,25+,27-,28+,29-,30+,31+,33+,35-,36+,37-,38+/m1/s1
C38H60O11692.87645400
434211

0 of 12 defined stereocentres - 0/12 defined
InChI=1/C38H60O11/c1-20(39)47-31-25(48-30(43)19-35(6,46)18-29(41)42)17-36(7)24-16-27(40)38(9)22(21-10-13-28(34(4,5)45)49-32(21)44)14-15-37(38,8)23(24)11-12-26(36)33(31,2)3/h21-22,25-28,31-32,40,44-46H,10-19H2,1-9H3,(H,41,42)
C38H60O11692.87644300
2331473

0 of 17 defined stereocentres - 0/17 defined
InChI=1/C38H60O11/c1-19-11-14-38(33(45)47-8)16-15-36(5)21(25(38)20(19)2)9-10-24-34(3)17-22(40)30(35(4,18-39)23(34)12-13-37(24,36)6)49-32-28(43)26(41)27(42)29(48-32)31(44)46-7/h9,19-20,22-30,32,39-43H,10-18H2,1-8H3
C38H60O11692.8763999999984400
2338888

13 of 14 defined stereocentres - 13/14 defined
InChI=1/C38H60O11/c1-18(2)19(3)38(10)26(41)16-37(9)22-11-12-25-34(5,6)31(49-33-29(44)28(43)27(42)24(17-39)48-33)23(47-20(4)40)15-35(25,7)21(22)13-14-36(37,8)30(38)32(45)46/h18-19,23-25,27-31,33,39,42-44H,11-17H2,1-10H3,(H,45,46)/t19?,23-,24-,25+,27-,28+,29-,30-,31+,33+,35-,36+,37-,38+/m1/s1
C38H60O11692.8763999999984400
23342909

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C38H60O11/c1-11-15-26(40)46-25-20-37(9)24(19-22(7)33(45-23(8)39)32(44)35(37)48-28(42)17-13-3)31-30(21(5)6)34(47-27(41)16-12-2)36(38(25,31)10)49-29(43)18-14-4/h19,21,24-25,30-36,44H,11-18,20H2,1-10H3/t24-,25+,30-,31+,32+,33+,34-,35-,36+,37-,38+/m1/s1
C38H60O11692.87644400
17267087

17 of 17 defined stereocentres - 17/17 defined
InChI=1/C38H60O11/c1-20-9-14-38(32(44)49-31-29(43)28(42)27(41)22(17-39)47-31)16-15-35(4)21(30(38)37(20,6)45)7-8-24-33(2)12-11-25-34(3,19-46-26(18-40)48-25)23(33)10-13-36(24,35)5/h7,20,22-31,39-43,45H,8-19H2,1-6H3/t20-,22-,23-,24-,25+,26-,27-,28+,29-,30-,31+,33+,34+,35-,36-,37-,38+/m1/s1
C38H60O11692.87643300
8570353

Double-bond stereo

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C38H60O11/c1-9-12-23(4)36(49-38-35(44)34(43)37(27(8)46-38)48-31-20-29(39)33(42)26(7)45-31)25(6)32(41)24(5)19-22(3)14-10-13-21(2)17-18-28-15-11-16-30(40)47-28/h10-11,14,16-19,21,23-29,31,33-39,42-44H,9,12-13,15,20H2,1-8H3/b14-10+,18-17+,22-19+/t21-,23-,24+,25+,26-,27+,28+,29-,31-,33+,34-,35+,36+,37-,38-/m0/s1
C38H60O11692.87643200
8660202

Double-bond stereo

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C38H60O11/c1-9-12-23(4)36(49-38-35(44)34(43)37(27(8)46-38)48-31-20-29(39)33(42)26(7)45-31)25(6)32(41)24(5)19-22(3)14-10-13-21(2)17-18-28-15-11-16-30(40)47-28/h10-11,14,16-19,21,23-29,31,33-39,42-44H,9,12-13,15,20H2,1-8H3/b14-10+,18-17+,22-19+/t21-,23+,24+,25+,26+,27+,28+,29+,31-,33+,34+,35+,36+,37-,38-/m0/s1
C38H60O11692.87643200
8708070

17 of 18 defined stereocentres - 17/18 defined
InChI=1/C38H60O11/c1-18-15-20-29(33(5,6)47-19(2)40)49-38(48-20)28(18)34(7)13-14-37-17-36(37)12-11-24(46-30-27(43)26(42)25(41)21(16-39)45-30)32(3,4)22(36)9-10-23(37)35(34,8)31(38)44/h18,20-31,39,41-44H,9-17H2,1-8H3/t18-,20-,21-,22?,23+,24+,25-,26+,27-,28-,29+,30+,31-,34-,35-,36-,37+,38+/m1/s1
C38H60O11692.87642100
8922542

17 of 18 defined stereocentres - 17/18 defined
InChI=1/C38H60O11/c1-18-15-20-29(33(5,6)47-19(2)40)49-38(48-20)28(18)34(7)13-14-37-17-36(37)12-11-24(46-30-27(43)26(42)25(41)21(16-39)45-30)32(3,4)22(36)9-10-23(37)35(34,8)31(38)44/h18,20-31,39,41-44H,9-17H2,1-8H3/t18-,20-,21-,22?,23+,24+,25+,26+,27-,28-,29+,30+,31-,34-,35-,36-,37+,38+/m1/s1
C38H60O11692.87642100
8993737

15 of 16 defined stereocentres - 15/16 defined
InChI=1/C38H60O11/c1-19-16-22(29(47-20(2)39)33(5,6)45-9)49-38(44)28(19)34(7)14-15-37-18-36(37)13-12-25(48-30-27(42)26(41)21(40)17-46-30)32(3,4)23(36)10-11-24(37)35(34,8)31(38)43/h11,19,21-23,25-31,40-44H,10,12-18H2,1-9H3/t19-,21-,22-,23?,25+,26+,27-,28-,29+,30+,31-,34-,35-,36-,37+,38-/m1/s1
C38H60O11692.87642100
8137239

0 of 14 defined stereocentres - 0/14 defined
InChI=1/C38H60O11/c1-18(2)19(3)38(10)26(41)16-37(9)22-11-12-25-34(5,6)31(49-33-29(44)28(43)27(42)24(17-39)48-33)23(47-20(4)40)15-35(25,7)21(22)13-14-36(37,8)30(38)32(45)46/h18-19,23-25,27-31,33,39,42-44H,11-17H2,1-10H3,(H,45,46)
C38H60O11692.87642100
76793393

16 of 16 defined stereocentres - 16/16 defined
InChI=1/C38H60O11/c1-18-15-20(31(34(5,6)45)46-19(2)40)47-29-25(18)35(7)13-14-38-17-37(38)12-11-24(49-32-28(43)27(42)26(41)21(16-39)48-32)33(3,4)22(37)9-10-23(38)36(35,8)30(29)44/h18,20-24,26-28,30-32,39,41-45H,9-17H2,1-8H3/t18-,20-,21-,22+,23+,24+,26+,27+,28-,30-,31-,32+,35-,36-,37-,38+/m1/s1
C38H60O11692.87642200
88301822

15 of 16 defined stereocentres - 15/16 defined
InChI=1/C38H60O11/c1-19(2)20(3)34(5)13-14-36(7)22-9-10-26-35(6)17-46-18-38(26,23(22)11-12-37(36,8)30(34)32(44)45)15-24(47-21(4)40)31(35)49-33-29(43)28(42)27(41)25(16-39)48-33/h11,19-20,22,24-31,33,39,41-43H,9-10,12-18H2,1-8H3,(H,44,45)/t20-,22+,24-,25-,26+,27-,28+,29-,30-,31+,33+,34-,35?,36-,37+,38+/m1/s1
C38H60O11692.87642200
24711309

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C38H60O11/c1-20(39)47-31-25(48-30(43)19-35(6,46)18-29(41)42)17-36(7)24-16-27(40)38(9)22(21-10-13-28(34(4,5)45)49-32(21)44)14-15-37(38,8)23(24)11-12-26(36)33(31,2)3/h21-22,25-28,31-32,40,44-46H,10-19H2,1-9H3,(H,41,42)/t21-,22-,25-,26+,27+,28-,31+,32+,35+,36-,37+,38+/m1/s1
C38H60O11692.87642200
27023926

Double-bond stereo

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C38H60O11/c1-25(2)36-27(4)35(45)22-31(42)20-30(41)18-28(39)15-13-16-29(40)19-32(43)23-38(47)24-33(44)21-34(49-38)17-12-10-8-6-5-7-9-11-14-26(3)37(46)48-36/h5-14,16,25,27-36,39-45,47H,15,17-24H2,1-4H3/b7-5+,8-6+,11-9+,12-10+,16-13+,26-14+/t27-,28+,29-,30+,31-,32+,33-,34+,35-,36-,38-/m0/s1
C38H60O11692.87642200
58918504

14 of 16 defined stereocentres - 14/16 defined
InChI=1/C38H60O11/c1-19(2)20(3)34(5)13-14-36(7)22-9-10-26-35(6)17-46-18-38(26,23(22)11-12-37(36,8)30(34)32(44)45)15-24(47-21(4)40)31(35)49-33-29(43)28(42)27(41)25(16-39)48-33/h11,19-20,22,24-31,33,39,41-43H,9-10,12-18H2,1-8H3,(H,44,45)/t20-,22+,24-,25-,26+,27-,28+,29-,30-,31+,33+,34-,35?,36-,37+,38?/m1/s1
C38H60O11692.87641100
20100099

5 of 14 defined stereocentres - 5/14 defined
InChI=1/C38H60O11/c1-18(2)19(3)38(10)26(41)16-37(9)22-11-12-25-34(5,6)31(49-33-29(44)28(43)27(42)24(17-39)48-33)23(47-20(4)40)15-35(25,7)21(22)13-14-36(37,8)30(38)32(45)46/h18-19,23-25,27-31,33,39,42-44H,11-17H2,1-10H3,(H,45,46)/t19?,23?,24-,25?,27-,28+,29-,30?,31?,33+,35?,36?,37?,38?/m1/s1
C38H60O11692.87641100
12

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