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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 18 results

Search term: C38H60O17 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24606167

21 of 21 defined stereocentres - 21/21 defined
InChI=1/C38H60O17/c1-16-12-37-10-6-20-35(3,8-5-9-36(20,4)34(49)54-32-29(48)26(45)23(42)18(13-39)51-32)21(37)7-11-38(16,15-37)55-33-30(27(46)24(43)19(14-40)52-33)53-31-28(47)25(44)22(41)17(2)50-31/h17-33,39-48H,1,5-15H2,2-4H3/t17-,18+,19+,20-,21-,22-,23+,24+,25+,26-,27-,28+,29+,30+,31-,32-,33-,35+,36+,37+,38-/m0/s1
C38H60O17788.8728244000
57260201

21 of 21 defined stereocentres - 21/21 defined
InChI=1/C38H60O17/c1-16-12-37-10-6-20-35(3,8-5-9-36(20,4)34(49)54-32-29(48)26(45)23(42)18(13-39)51-32)21(37)7-11-38(16,15-37)55-33-30(27(46)24(43)19(14-40)52-33)53-31-28(47)25(44)22(41)17(2)50-31/h17-33,39-48H,1,5-15H2,2-4H3/t17-,18+,19+,20-,21-,22-,23+,24+,25+,26-,27-,28+,29+,30+,31-,32-,33-,35+,36+,37-,38+/m0/s1
C38H60O17788.87285400
81422646

20 of 21 defined stereocentres - 20/21 defined
InChI=1/C38H60O17/c1-16-12-37-10-6-20-35(3,8-5-9-36(20,4)34(49)54-32-29(48)26(45)23(42)18(13-39)51-32)21(37)7-11-38(16,15-37)55-33-30(27(46)24(43)19(14-40)52-33)53-31-28(47)25(44)22(41)17(2)50-31/h17-33,39-48H,1,5-15H2,2-4H3/t17-,18-,19-,20+,21+,22-,23-,24-,25+,26+,27+,28-,29-,30-,31+,32+,33+,35-,36-,37?,38+/m1/s1
C38H60O17788.87285400
65047921

20 of 21 defined stereocentres - 20/21 defined
InChI=1/C38H60O17/c1-16-12-37-10-6-20-35(3,8-5-9-36(20,4)34(49)54-32-29(48)26(45)23(42)18(13-39)51-32)21(37)7-11-38(16,15-37)55-33-30(27(46)24(43)19(14-40)52-33)53-31-28(47)25(44)22(41)17(2)50-31/h17-33,39-48H,1,5-15H2,2-4H3/t17-,18+,19+,20-,21-,22-,23+,24+,25+,26-,27-,28+,29+,30+,31-,32-,33-,35+,36+,37?,38-/m0/s1
C38H60O17788.87284300
23334892

21 of 21 defined stereocentres - 21/21 defined
InChI=1/C38H60O17/c1-16-12-37-10-6-20-35(3,8-5-9-36(20,4)34(49)54-32-29(48)26(45)24(43)19(14-40)52-32)21(37)7-11-38(16,15-37)55-33-30(27(46)22(41)17(2)50-33)53-31-28(47)25(44)23(42)18(13-39)51-31/h17-33,39-48H,1,5-15H2,2-4H3/t17-,18-,19-,20+,21+,22-,23-,24-,25+,26+,27+,28-,29-,30+,31+,32+,33+,35-,36-,37-,38+/m1/s1
C38H60O17788.87284300
10018589

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C38H60O17/c1-6-37(4)9-7-17-16(12-37)18(41)11-22-36(2,3)23(8-10-38(17,22)5)54-35-32(29(47)25(43)20(14-40)52-35)55-34-31(49)28(46)26(44)21(53-34)15-50-33-30(48)27(45)24(42)19(13-39)51-33/h6,12,17,19-35,39-40,42-49H,1,7-11,13-15H2,2-5H3/t17-,19+,20+,21+,22-,23-,24+,25+,26+,27-,28-,29-,30+,31+,32+,33+,34-,35-,37-,38+/m0/s1
C38H60O17788.87284300
101935749

19 of 21 defined stereocentres - 19/21 defined
InChI=1/C38H60O17/c1-16-12-37-10-6-20-35(3,8-5-9-36(20,4)34(49)54-32-29(48)26(45)23(42)18(13-39)51-32)21(37)7-11-38(16,15-37)55-33-30(27(46)24(43)19(14-40)52-33)53-31-28(47)25(44)22(41)17(2)50-31/h17-33,39-48H,1,5-15H2,2-4H3/t17-,18-,19-,20+,21+,22-,23-,24-,25+,26+,27+,28+,29-,30-,31-,32?,33+,35-,36?,37-,38+/m1/s1
C38H60O17788.87283300
82964028

21 of 21 defined stereocentres - 21/21 defined
InChI=1/C38H60O17/c1-16-12-37-10-6-20-35(3,8-5-9-36(20,4)34(49)54-32-29(48)26(45)23(42)18(13-39)51-32)21(37)7-11-38(16,15-37)55-33-30(27(46)24(43)19(14-40)52-33)53-31-28(47)25(44)22(41)17(2)50-31/h17-33,39-48H,1,5-15H2,2-4H3/t17-,18+,19+,20-,21-,22-,23+,24+,25+,26-,27-,28+,29+,30+,31-,32-,33-,35+,36+,37+,38-/m1/s1
C38H60O17788.87282300
82965024

21 of 21 defined stereocentres - 21/21 defined
InChI=1/C38H60O17/c1-16-12-37-10-6-20-35(3,8-5-9-36(20,4)34(49)54-32-29(48)26(45)23(42)18(13-39)51-32)21(37)7-11-38(16,15-37)55-33-30(27(46)24(43)19(14-40)52-33)53-31-28(47)25(44)22(41)17(2)50-31/h17-33,39-48H,1,5-15H2,2-4H3/t17-,18+,19+,20-,21-,22-,23+,24+,25+,26-,27-,28+,29+,30+,31-,32-,33-,35+,36+,37-,38+/m1/s1
C38H60O17788.87282100
115284577

21 of 21 defined stereocentres - 21/21 defined
InChI=1/C38H60O17/c1-16-12-37-10-6-20-35(3,8-5-9-36(20,4)34(49)54-32-29(48)26(45)23(42)18(13-39)51-32)21(37)7-11-38(16,15-37)55-33-30(27(46)24(43)19(14-40)52-33)53-31-28(47)25(44)22(41)17(2)50-31/h17-33,39-48H,1,5-15H2,2-4H3/t17-,18-,19-,20+,21+,22-,23-,24-,25+,26+,27+,28-,29-,30-,31+,32+,33+,35-,36-,37-,38+/m1/s1
C38H60O17788.87282200
10172843

16 of 22 defined stereocentres - 16/22 defined
InChI=1/C38H60O17/c1-15(14-51-34-30(47)28(45)26(43)22(12-39)52-34)6-9-38(50)32(49)24-21(55-38)11-19-17-5-4-16-10-20(41)25(42)33(37(16,3)18(17)7-8-36(19,24)2)54-35-31(48)29(46)27(44)23(13-40)53-35/h4,17-35,39-50H,1,5-14H2,2-3H3/t17?,18?,19?,20-,21?,22-,23-,24?,25+,26-,27+,28+,29+,30-,31-,32+,33-,34-,35+,36+,37+,38?/m1/s1
C38H60O17788.87282100
4214971

Double-bond stereo

0 of 16 defined stereocentres - 0/16 defined
InChI=1/C38H60O17/c1-9-37(7,54-35-29(46)26(43)24(41)22(17-39)50-35)16-12-14-20(5)33(48)52-31-21(6)49-34(30(47)28(31)45)53-32-27(44)25(42)23(18-40)51-36(32)55-38(8,10-2)15-11-13-19(3)4/h9-10,13-14,21-25,27-32,34-36,39-42,44-47H,1-2,11-12,15-18H2,3-8H3
C38H60O17788.8727999999982100
4579219

Double-bond stereo

2 of 16 defined stereocentres - 2/16 defined
InChI=1/C38H60O17/c1-9-37(7,54-35-29(46)26(43)24(41)22(17-39)50-35)16-12-14-20(5)33(48)52-31-21(6)49-34(30(47)28(31)45)53-32-27(44)25(42)23(18-40)51-36(32)55-38(8,10-2)15-11-13-19(3)4/h9-10,13-14,21-25,27-32,34-36,39-42,44-47H,1-2,11-12,15-18H2,3-8H3/b20-14+/t21?,22?,23?,24?,25?,27?,28?,29?,30?,31?,32?,34?,35?,36?,37-,38-/m0/s1
C38H60O17788.87282200
9695428

19 of 21 defined stereocentres - 19/21 defined
InChI=1/C38H60O17/c1-16-12-37-10-6-20-35(3,8-5-9-36(20,4)34(49)54-32-29(48)26(45)23(42)18(13-39)51-32)21(37)7-11-38(16,15-37)55-33-30(27(46)24(43)19(14-40)52-33)53-31-28(47)25(44)22(41)17(2)50-31/h17-33,39-48H,1,5-15H2,2-4H3/t17-,18-,19-,20?,21?,22-,23-,24-,25+,26+,27+,28-,29-,30-,31+,32+,33+,35-,36-,37-,38+/m1/s1
C38H60O17788.87282100
24606166

21 of 21 defined stereocentres - 21/21 defined
InChI=1/C38H60O17/c1-16-12-37-10-6-20-35(3,8-5-9-36(20,4)34(48)49)21(37)7-11-38(16,15-37)55-33-30(54-31-27(46)25(44)22(41)17(2)50-31)29(24(43)19(14-40)52-33)53-32-28(47)26(45)23(42)18(13-39)51-32/h17-33,39-47H,1,5-15H2,2-4H3,(H,48,49)/t17-,18+,19+,20-,21-,22-,23+,24+,25+,26-,27+,28+,29-,30+,31-,32-,33-,35+,36+,37+,38-/m0/s1
C38H60O17788.87282400
20581075

18 of 21 defined stereocentres - 18/21 defined
InChI=1/C38H60O17/c1-16-12-37-10-6-20-35(3,8-5-9-36(20,4)34(49)54-32-29(48)26(45)23(42)18(13-39)51-32)21(37)7-11-38(16,15-37)55-33-30(27(46)24(43)19(14-40)52-33)53-31-28(47)25(44)22(41)17(2)50-31/h17-33,39-48H,1,5-15H2,2-4H3/t17-,18-,19-,20?,21?,22-,23-,24-,25+,26+,27+,28+,29-,30-,31-,32?,33+,35-,36-,37-,38+/m1/s1
C38H60O17788.87281100
113609676

20 of 21 defined stereocentres - 20/21 defined
InChI=1/C38H60O17/c1-16-12-37-10-6-20-35(3,8-5-9-36(20,4)34(49)54-32-29(48)26(45)23(42)18(13-39)51-32)21(37)7-11-38(16,15-37)55-33-30(27(46)24(43)19(14-40)52-33)53-31-28(47)25(44)22(41)17(2)50-31/h17-33,39-48H,1,5-15H2,2-4H3/t17-,18+,19+,20-,21-,22-,23+,24+,25+,26-,27-,28-,29-,30-,31+,32+,33+,35+,36+,37?,38+/m0/s1
C38H60O17788.87281100
113610225

20 of 21 defined stereocentres - 20/21 defined
InChI=1/C38H60O17/c1-16-12-37-10-6-20-35(3,8-5-9-36(20,4)34(49)54-32-29(48)26(45)23(42)18(13-39)51-32)21(37)7-11-38(16,15-37)55-33-30(27(46)24(43)19(14-40)52-33)53-31-28(47)25(44)22(41)17(2)50-31/h17-33,39-48H,1,5-15H2,2-4H3/t17-,18-,19-,20+,21+,22-,23-,24-,25+,26+,27+,28+,29+,30+,31-,32-,33-,35-,36-,37?,38-/m1/s1
C38H60O17788.87281100

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