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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 26 results

Search term: C37H38O18 (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4952731

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C37H38O18/c1-15-33(54-25(42)10-5-16-3-7-18(38)8-4-16)30(46)32(48)36(51-15)50-14-24-27(43)29(45)31(47)37(53-24)55-35-28(44)26-21(41)12-19(39)13-23(26)52-34(35)17-6-9-20(40)22(11-17)49-2/h3-13,15,24,27,29-33,36-41,43,45-48H,14H2,1-2H3/b10-5+/t15-,24+,27-,29-,30-,31+,32+,33-,36+,37-/m0/s1
C37H38O18770.68687700
8638297

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C37H38O18/c1-48-20-12-22(41)27-24(13-20)52-31(18-5-7-19(39)8-6-18)32(29(27)44)54-35-33(30(45)28(43)25(14-38)53-35)55-36-34(46)37(47,16-51-36)15-50-26(42)10-4-17-3-9-21(40)23(11-17)49-2/h3-13,25,28,30,33-36,38-41,43,45-47H,14-16H2,1-2H3/b10-4+/t25-,28-,30+,33-,34+,35+,36+,37-/m1/s1
C37H38O18770.68687700
9193345

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C37H38O18/c1-15-27(43)31(47)35(55-36-32(48)30(46)28(44)24(53-36)14-50-25(42)10-5-16-3-7-18(38)8-4-16)37(51-15)54-34-29(45)26-21(41)12-19(39)13-23(26)52-33(34)17-6-9-20(40)22(11-17)49-2/h3-13,15,24,27-28,30-32,35-41,43-44,46-48H,14H2,1-2H3/b10-5+/t15-,24+,27-,28+,30-,31+,32+,35+,36-,37-/m0/s1
C37H38O18770.68686700
8851997

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C37H38O18/c1-50-21-10-15(2-8-18(21)40)3-9-26(42)51-14-25-30(44)33(47)35(49)37(55-25)54-23-12-22-27(19(41)11-20(52-22)16-4-6-17(39)7-5-16)31(45)28(23)36-34(48)32(46)29(43)24(13-38)53-36/h2-12,24-25,29-30,32-40,43-49H,13-14H2,1H3/b9-3+/t24-,25-,29-,30-,32+,33+,34-,35-,36+,37-/m1/s1
C37H38O18770.68683300
29368534

Double-bond stereo

8 of 10 defined stereocentres - 8/10 defined
InChI=1/C37H38O18/c1-50-21-10-15(2-8-18(21)40)3-9-26(42)51-14-25-30(44)33(47)35(49)37(55-25)54-23-12-22-27(19(41)11-20(52-22)16-4-6-17(39)7-5-16)31(45)28(23)36-34(48)32(46)29(43)24(13-38)53-36/h2-12,24-25,29-30,32-40,43-49H,13-14H2,1H3/b9-3+/t24-,25?,29-,30-,32+,33+,34-,35-,36+,37?/m1/s1
C37H38O18770.68683400
29368536

Double-bond stereo

8 of 10 defined stereocentres - 8/10 defined
InChI=1/C37H38O18/c1-50-20-8-2-15(10-18(20)40)3-9-26(42)51-14-25-30(44)33(47)35(49)37(55-25)54-23-12-22-27(19(41)11-21(52-22)16-4-6-17(39)7-5-16)31(45)28(23)36-34(48)32(46)29(43)24(13-38)53-36/h2-12,24-25,29-30,32-40,43-49H,13-14H2,1H3/b9-3+/t24-,25?,29-,30-,32+,33+,34-,35-,36+,37?/m1/s1
C37H38O18770.68683400
29368539

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C37H38O18/c1-49-22-9-15(10-23(50-2)29(22)43)3-8-26(42)53-25-14-51-37(34(48)31(25)45)55-36-33(47)30(44)24(13-38)54-35(36)28-19(41)12-21-27(32(28)46)18(40)11-20(52-21)16-4-6-17(39)7-5-16/h3-12,24-25,30-31,33-39,41,43-48H,13-14H2,1-2H3/b8-3+/t24-,25+,30-,31+,33+,34-,35+,36-,37+/m1/s1
C37H38O18770.68683400
30785657

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C37H38O18/c1-50-22-10-15(2-8-18(22)40)3-9-26(43)51-14-25-30(45)32(47)34(49)37(54-25)55-36-33(48)29(44)24(13-38)53-35(36)28-20(42)12-23-27(31(28)46)19(41)11-21(52-23)16-4-6-17(39)7-5-16/h2-12,24-25,29-30,32-40,42,44-49H,13-14H2,1H3/b9-3+/t24-,25-,29-,30+,32+,33+,34-,35+,36-,37+/m1/s1
C37H38O18770.68683400
103883961

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C37H38O18/c1-50-22-10-15(2-8-18(22)40)3-9-26(43)51-14-25-30(45)32(47)34(49)37(54-25)55-36-33(48)29(44)24(13-38)53-35(36)28-20(42)12-23-27(31(28)46)19(41)11-21(52-23)16-4-6-17(39)7-5-16/h2-12,24-25,29-30,32-40,42,44-49H,13-14H2,1H3/b9-3+/t24-,25-,29-,30-,32+,33+,34-,35+,36-,37+/m1/s1
C37H38O18770.68682200
8570842

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C37H38O18/c1-49-19-9-5-17(6-10-19)21-12-20(41)27-22(50-21)13-23(34(30(27)45)54-26(42)11-4-16-2-7-18(40)8-3-16)51-37-35(32(47)29(44)25(15-39)53-37)55-36-33(48)31(46)28(43)24(14-38)52-36/h2-13,24-25,28-29,31-33,35-40,43-48H,14-15H2,1H3/b11-4+/t24-,25+,28-,29+,31+,32-,33+,35+,36+,37+/m0/s1
C37H38O18770.68682200
8570843

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C37H38O18/c1-10-5-16-22(29(45)19(10)35(49)51-4)21-14(8-15-23(30(21)46)26(42)13-6-12(50-3)7-17(38)20(13)25(15)41)27(43)33(16)54-37-32(48)34(24(40)11(2)53-37)55-36-31(47)28(44)18(39)9-52-36/h5-8,11,18,24,27-28,31-34,36-40,43-48H,9H2,1-4H3/t11-,18-,24+,27+,28+,31-,32-,33+,34+,36+,37+/m1/s1
C37H38O18770.68682200
24633841

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C37H38O18/c1-17(38)46-15-29-27(54-37-36(51-21(5)42)35(50-20(4)41)34(49-19(3)40)30(55-37)16-47-18(2)39)10-11-31(53-29)52-24-12-26(44)32-28(13-24)48-14-25(33(32)45)22-6-8-23(43)9-7-22/h6-14,27,29-31,34-37,43-44H,15-16H2,1-5H3/t27-,29+,30+,31-,34-,35-,36+,37+/m0/s1
C37H38O18770.68682200
24655849

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C37H38O18/c1-48-25-9-17(3-6-20(25)39)4-8-29(43)50-15-37(47)16-51-36(34(37)46)55-33-32(45)31(44)28(14-38)54-35(33)52-19-11-22(41)30-23(42)13-24(53-27(30)12-19)18-5-7-21(40)26(10-18)49-2/h3-13,28,31-36,38-41,44-47H,14-16H2,1-2H3/b8-4+/t28-,31-,32+,33-,34+,35-,36+,37-/m1/s1
C37H38O18770.68682200
24843775

Double-bond stereo

5 of 10 defined stereocentres - 5/10 defined
InChI=1/C37H38O18/c1-50-22-10-16(5-8-18(22)40)21-11-19(41)27-23(52-21)12-20(42)28(31(27)46)35-36(33(48)29(44)24(13-38)53-35)55-37-34(49)32(47)30(45)25(54-37)14-51-26(43)9-4-15-2-6-17(39)7-3-15/h2-12,24-25,29-30,32-40,42,44-49H,13-14H2,1H3/b9-4+/t24?,25?,29-,30-,32?,33+,34?,35+,36?,37+/m1/s1
C37H38O18770.68681100
28288498

Double-bond stereo

7 of 10 defined stereocentres - 7/10 defined
InChI=1/C37H38O18/c1-15-27(43)30(46)32(48)36(51-15)50-14-24-28(44)31(47)35(54-25(42)10-4-16-3-9-20(40)22(11-16)49-2)37(53-24)55-34-29(45)26-21(41)12-19(39)13-23(26)52-33(34)17-5-7-18(38)8-6-17/h3-13,15,24,27-28,30-32,35-41,43-44,46-48H,14H2,1-2H3/b10-4+/t15-,24+,27?,28?,30-,31-,32-,35+,36?,37+/m1/s1
C37H38O18770.68681100
113610179

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C37H38O18/c1-48-20-12-22(41)27-24(13-20)52-31(18-5-7-19(39)8-6-18)32(29(27)44)54-35-33(30(45)28(43)25(14-38)53-35)55-36-34(46)37(47,16-51-36)15-50-26(42)10-4-17-3-9-21(40)23(11-17)49-2/h3-13,25,28,30,33-36,38-41,43,45-47H,14-16H2,1-2H3/b10-4+/t25-,28-,30+,33+,34-,35-,36-,37-/m1/s1
C37H38O18770.68681100
115269363

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C37H38O18/c1-50-22-10-15(2-8-18(22)40)3-9-26(43)55-36-33(48)30(45)24(13-38)53-35(36)28-20(42)12-23-27(31(28)46)19(41)11-21(52-23)16-4-6-17(7-5-16)51-37-34(49)32(47)29(44)25(14-39)54-37/h2-12,24-25,29-30,32-40,42,44-49H,13-14H2,1H3/b9-3+/t24-,25-,29-,30-,32+,33+,34-,35+,36-,37-/m1/s1
C37H38O18770.68681100
4481077

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C37H38O18/c1-15-27(43)31(47)35(55-36-32(48)30(46)28(44)24(53-36)14-50-25(42)10-5-16-3-7-18(38)8-4-16)37(51-15)54-34-29(45)26-21(41)12-19(39)13-23(26)52-33(34)17-6-9-20(40)22(11-17)49-2/h3-13,15,24,27-28,30-32,35-41,43-44,46-48H,14H2,1-2H3/b10-5+/t15-,24-,27+,28+,30+,31+,32-,35-,36-,37-/m1/s1
C37H38O18770.68681100
59696235

Double-bond stereo

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C37H38O18/c1-50-21-10-15(2-8-18(21)40)3-9-26(42)51-14-25-30(44)33(47)35(49)37(55-25)54-23-12-22-27(19(41)11-20(52-22)16-4-6-17(39)7-5-16)31(45)28(23)36-34(48)32(46)29(43)24(13-38)53-36/h2-12,24-25,29-30,32-40,43-49H,13-14H2,1H3/b9-3+/t24-,25-,29-,30-,32+,33+,34-,35-,36+,37?/m1/s1
C37H38O18770.68681100
68896046

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C37H38O18/c1-51-20-10-14(2-8-17(20)41)3-9-23(43)55-37-32(49)28(45)22(13-39)54-36(37)25-29(46)24-18(42)11-19(15-4-6-16(40)7-5-15)52-34(24)26(30(25)47)35-33(50)31(48)27(44)21(12-38)53-35/h2-11,21-22,27-28,31-33,35-41,44-50H,12-13H2,1H3/b9-3-/t21-,22+,27-,28+,31+,32-,33-,35+,36-,37+/m0/s1
C37H38O18770.68681100
12

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