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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
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Single/Multi-component
Isotopically Labeled
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Found 5 results

Search term: C39H58O14 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
25055801

16 of 16 defined stereocentres - 16/16 defined
InChI=1/C39H58O14/c1-16(2)18(4)23(40)13-17(3)25-28(43)29(44)26-21-8-7-19-14-20(9-11-38(19,5)22(21)10-12-39(25,26)6)51-37-32(47)33(31(46)34(53-37)35(48)49)52-36-30(45)27(42)24(41)15-50-36/h16-20,24,26-27,30-34,36-37,41-43,45-47H,7-15H2,1-6H3,(H,48,49)/t17-,18-,19+,20+,24-,26+,27+,30-,31+,32-,33+,34+,36+,37-,38+,39-/m1/s1
C39H58O14750.86944400
10481577

Double-bond stereo

3 of 6 defined stereocentres - 3/6 defined
InChI=1/C39H58O14/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-35(45)52-33(25-46-28(2)40)26-48-39-38(51-32(6)44)37(50-31(5)43)36(49-30(4)42)34(53-39)27-47-29(3)41/h11-12,14-15,17-18,20-21,33-34,36-39H,7-10,13,16,19,22-27H2,1-6H3/b12-11-,15-14-,18-17-,21-20+/t33?,34?,36-,37+,38+,39?/m0/s1
C39H58O14750.86942200
25028614

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C39H58O14/c1-35(2,3)31(42)46-18-20-16-22(40)21-17-24(41)49-29(25(20)21)53-30-28(52-34(45)38(10,11)12)27(51-33(44)37(7,8)9)26(50-32(43)36(4,5)6)23(48-30)19-47-39(13,14)15/h16-17,23,25-30H,18-19H2,1-15H3/t23-,25-,26-,27+,28-,29+,30+/m1/s1
C39H58O14750.86942200
28287936

16 of 16 defined stereocentres - 16/16 defined
InChI=1/C39H58O14/c1-16(2)18(4)23(40)13-17(3)25-28(43)29(44)26-21-8-7-19-14-20(9-11-38(19,5)22(21)10-12-39(25,26)6)51-37-32(47)33(31(46)34(53-37)35(48)49)52-36-30(45)27(42)24(41)15-50-36/h16-20,24,26-27,30-34,36-37,41-43,45-47H,7-15H2,1-6H3,(H,48,49)/t17-,18-,19+,20+,24-,26+,27-,30-,31+,32-,33-,34+,36-,37-,38+,39-/m1/s1
C39H58O14750.86941100
115267413

21 of 21 defined stereocentres - 21/21 defined
InChI=1/C39H58O14/c1-18-6-11-39(46-17-18)19(2)26-22(51-39)14-25-35(26,4)9-8-24-36(5)10-7-21(15-37(36)12-13-38(24,25)53-52-37)48-34-32(30(44)28(42)23(16-40)49-34)50-33-31(45)29(43)27(41)20(3)47-33/h8,12-13,18-23,25-34,40-45H,6-7,9-11,14-17H2,1-5H3/t18-,19+,20+,21+,22+,23-,25-,26+,27+,28-,29-,30+,31-,32-,33+,34-,35+,36-,37-,38-,39-/m1/s1
C39H58O14750.86941100

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