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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 11 results

Search term: C36H38O16 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
78317701

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C36H38O16/c1-46-27-12-18(2-10-23(27)39)3-11-29(41)47-16-36(45)17-48-35(33(36)44)52-32-31(43)30(42)28(15-37)51-34(32)49-21-7-4-19(5-8-21)25-14-24(40)22-9-6-20(38)13-26(22)50-25/h2-13,25,28,30-35,37-39,42-45H,14-17H2,1H3/b11-3+/t25-,28+,30+,31-,32+,33-,34+,35-,36+/m0/s1
C36H38O16726.67738800
8231269

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C36H38O16/c1-9-19-17(25(38)11(3)49-9)7-15-21(31(44)34(47)32(45)23(15)29(19)42)14-5-13(51-36-35(48)33(46)28(41)18(8-37)52-36)6-16-22(14)30(43)20-10(2)50-12(4)26(39)24(20)27(16)40/h5-7,9-12,18,25-26,28,33,35-43,45-46,48H,8H2,1-4H3/t9-,10-,11-,12-,18-,25+,26+,28-,33+,35-,36-/m1/s1
C36H38O16726.67732100
8660471

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C36H38O16/c1-9-19-17(25(38)11(3)49-9)7-15-21(31(44)34(47)32(45)23(15)29(19)42)14-5-13(51-36-35(48)33(46)28(41)18(8-37)52-36)6-16-22(14)30(43)20-10(2)50-12(4)26(39)24(20)27(16)40/h5-7,9-12,18,25-26,28,33,35-43,45-46,48H,8H2,1-4H3/t9-,10-,11-,12-,18-,25-,26-,28-,33+,35-,36-/m1/s1
C36H38O16726.67732100
24845868

Double-bond stereo

5 of 8 defined stereocentres - 5/8 defined
InChI=1/C36H38O16/c1-47-27-14-20(5-12-25(27)40)6-13-29(42)48-17-36(46)18-49-35(33(36)45)52-32-31(44)30(43)28(16-37)51-34(32)50-22-8-2-19(3-9-22)4-11-24(39)23-10-7-21(38)15-26(23)41/h2-15,28,30-35,37-38,40-41,43-46H,16-18H2,1H3/b11-4+,13-6+/t28?,30-,31+,32?,33-,34-,35+,36?/m1/s1
C36H38O16726.67731100
24846228

Double-bond stereo

6 of 9 defined stereocentres - 6/9 defined
InChI=1/C36H38O16/c1-46-27-12-18(2-10-23(27)39)3-11-29(41)47-16-36(45)17-48-35(33(36)44)52-32-31(43)30(42)28(15-37)51-34(32)49-21-7-4-19(5-8-21)25-14-24(40)22-9-6-20(38)13-26(22)50-25/h2-13,25,28,30-35,37-39,42-45H,14-17H2,1H3/b11-3+/t25-,28?,30-,31+,32?,33-,34-,35+,36?/m1/s1
C36H38O16726.67731100
24846229

Double-bond stereo

6 of 9 defined stereocentres - 6/9 defined
InChI=1/C36H38O16/c1-46-27-12-18(2-10-23(27)39)3-11-29(41)47-16-36(45)17-48-35(33(36)44)52-32-31(43)30(42)28(15-37)51-34(32)49-21-7-4-19(5-8-21)25-14-24(40)22-9-6-20(38)13-26(22)50-25/h2-13,25,28,30-35,37-39,42-45H,14-17H2,1H3/b11-3+/t25-,28?,30+,31-,32?,33+,34+,35-,36?/m0/s1
C36H38O16726.67731100
57427018

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C36H38O16/c1-9-19-25(28(41)11(3)49-9)22(14-5-13(38)6-17(21(14)31(19)44)51-36-35(48)34(47)30(43)18(8-37)52-36)23-15(39)7-16(40)24-26(23)33(46)27-20(32(24)45)10(2)50-12(4)29(27)42/h5-7,9-12,18,28-30,34-44,47-48H,8H2,1-4H3/t9-,10-,11-,12-,18-,28-,29+,30-,34+,35-,36-/m1/s1
C36H38O16726.67731100
57427019

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C36H38O16/c1-9-19-25(28(41)11(3)49-9)22(14-5-13(38)6-17(21(14)31(19)44)51-36-35(48)34(47)30(43)18(8-37)52-36)23-15(39)7-16(40)24-26(23)33(46)27-20(32(24)45)10(2)50-12(4)29(27)42/h5-7,9-12,18,28-30,34-44,47-48H,8H2,1-4H3/t9-,10-,11-,12-,18-,28-,29-,30-,34+,35-,36-/m1/s1
C36H38O16726.67731100
90655241

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C36H38O16/c1-8-44-34(40)29-28(20-10-11-23-26(12-20)48-16-47-23)21-13-24(42-6)25(43-7)14-22(21)31(30(29)35(41)45-9-2)52-36-33(51-19(5)39)32(50-18(4)38)27(15-46-36)49-17(3)37/h10-14,27,32-33,36H,8-9,15-16H2,1-7H3/t27-,32-,33+,36-/m0/s1
C36H38O16726.67731100
115270473

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C36H38O16/c1-47-27-14-20(5-12-25(27)40)6-13-29(42)48-17-36(46)18-49-35(33(36)45)52-32-31(44)30(43)28(16-37)51-34(32)50-22-8-2-19(3-9-22)4-11-24(39)23-10-7-21(38)15-26(23)41/h2-15,28,30-35,37-38,40-41,43-46H,16-18H2,1H3/b11-4+,13-6+/t28-,30-,31+,32-,33+,34-,35+,36-/m1/s1
C36H38O16726.67731100
115270529

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C36H38O16/c1-46-27-12-18(2-10-23(27)39)3-11-29(41)47-16-36(45)17-48-35(33(36)44)52-32-31(43)30(42)28(15-37)51-34(32)49-21-7-4-19(5-8-21)25-14-24(40)22-9-6-20(38)13-26(22)50-25/h2-13,25,28,30-35,37-39,42-45H,14-17H2,1H3/b11-3+/t25-,28-,30-,31+,32-,33+,34-,35+,36-/m1/s1
C36H38O16726.67731100

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