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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 10 results

Search term: LAPDSIDJFKMDJP (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
22886562

Double-bond stereo

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C33H47NO13/c1-18-10-8-6-4-3-5-7-9-11-22(46-33-31(41)29(34)30(40)19(2)45-33)17-24(38)28(32(42)43)23(37)15-20(35)14-21(36)16-26-25(47-26)12-13-27(39)44-18/h3-9,11-13,18-19,21-26,28-31,33,36-38,40-41H,10,14-17,34H2,1-2H3,(H,42,43)/b4-3+,7-5+,8-6+,11-9+,13-12+/t18-,19+,21-,22+,23+,24-,25-,26+,28+,29-,30+,31-,33-/m0/s1
C33H47NO13665.725210400
17472495

Double-bond stereo

2 of 13 defined stereocentres - 2/13 defined
InChI=1/C33H47NO13/c1-18-10-8-6-4-3-5-7-9-11-22(46-33-31(41)29(34)30(40)19(2)45-33)17-24(38)28(32(42)43)23(37)15-20(35)14-21(36)16-26-25(47-26)12-13-27(39)44-18/h3-9,11-13,18-19,21-26,28-31,33,36-38,40-41H,10,14-17,34H2,1-2H3,(H,42,43)/b4-3+,7-5+,8-6+,11-9+,13-12+/t18?,19?,21?,22?,23?,24?,25?,26?,28?,29?,30-,31?,33+/m1/s1
C33H47NO13665.72525100
44241094

Double-bond stereo

0 of 13 defined stereocentres - 0/13 defined
InChI=1/C33H47NO13/c1-18-10-8-6-4-3-5-7-9-11-22(46-33-31(41)29(34)30(40)19(2)45-33)17-24(38)28(32(42)43)23(37)15-20(35)14-21(36)16-26-25(47-26)12-13-27(39)44-18/h3-9,11-13,18-19,21-26,28-31,33,36-38,40-41H,10,14-17,34H2,1-2H3,(H,42,43)/b4-3-,7-5-,8-6-,11-9-,13-12-
C33H47NO13665.72523200
53601889

Double-bond stereo

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C33H47NO13/c1-18-10-8-6-4-3-5-7-9-11-22(46-33-31(41)29(34)30(40)19(2)45-33)17-24(38)28(32(42)43)23(37)15-20(35)14-21(36)16-26-25(47-26)12-13-27(39)44-18/h3-9,11-13,18-19,21-26,28-31,33,36-38,40-41H,10,14-17,34H2,1-2H3,(H,42,43)/b4-3-,7-5-,8-6-,11-9-,13-12-/t18-,19+,21-,22+,23+,24-,25-,26+,28+,29-,30+,31-,33-/m0/s1
C33H47NO13665.72522100
31092815

Double-bond stereo

0 of 13 defined stereocentres - 0/13 defined
InChI=1/C33H47NO13/c1-18-10-8-6-4-3-5-7-9-11-22(46-33-31(41)29(34)30(40)19(2)45-33)17-24(38)28(32(42)43)23(37)15-20(35)14-21(36)16-26-25(47-26)12-13-27(39)44-18/h3-9,11-13,18-19,21-26,28-31,33,36-38,40-41H,10,14-17,34H2,1-2H3,(H,42,43)/b4-3+,7-5+,8-6+,11-9+,13-12+
C33H47NO13665.72522200
4159905

Double-bond stereo

0 of 13 defined stereocentres - 0/13 defined
InChI=1/C33H47NO13/c1-18-10-8-6-4-3-5-7-9-11-22(46-33-31(41)29(34)30(40)19(2)45-33)17-24(38)28(32(42)43)23(37)15-20(35)14-21(36)16-26-25(47-26)12-13-27(39)44-18/h3-9,11-13,18-19,21-26,28-31,33,36-38,40-41H,10,14-17,34H2,1-2H3,(H,42,43)
C33H47NO13665.7251799999982100
8115214

Double-bond stereo

5 of 13 defined stereocentres - 5/13 defined
InChI=1/C33H47NO13/c1-18-10-8-6-4-3-5-7-9-11-22(46-33-31(41)29(34)30(40)19(2)45-33)17-24(38)28(32(42)43)23(37)15-20(35)14-21(36)16-26-25(47-26)12-13-27(39)44-18/h3-9,11-13,18-19,21-26,28-31,33,36-38,40-41H,10,14-17,34H2,1-2H3,(H,42,43)/b4-3+,7-5+,8-6+,11-9-,13-12+/t18?,19-,21?,22?,23?,24?,25?,26?,28?,29+,30-,31+,33+/m1/s1
C33H47NO13665.72522100
17460098

Double-bond stereo

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C33H47NO13/c1-18-10-8-6-4-3-5-7-9-11-22(46-33-31(41)29(34)30(40)19(2)45-33)17-24(38)28(32(42)43)23(37)15-20(35)14-21(36)16-26-25(47-26)12-13-27(39)44-18/h3-9,11-13,18-19,21-26,28-31,33,36-38,40-41H,10,14-17,34H2,1-2H3,(H,42,43)/b4-3+,7-5+,8-6+,11-9+,13-12+/t18-,19+,21-,22+,23+,24-,25-,26+,28-,29-,30+,31-,33-/m0/s1
C33H47NO13665.72521100
35311992

Double-bond stereo

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C33H47NO13/c1-18-10-8-6-4-3-5-7-9-11-22(46-33-31(41)29(34)30(40)19(2)45-33)17-24(38)28(32(42)43)23(37)15-20(35)14-21(36)16-26-25(47-26)12-13-27(39)44-18/h3-9,11-13,18-19,21-26,28-31,33,36-38,40-41H,10,14-17,34H2,1-2H3,(H,42,43)/t18-,19+,21-,22+,23+,24-,25-,26+,28+,29-,30+,31-,33-/m0/s1
C33H47NO13665.72521100
110092073

Double-bond stereo

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C33H47NO13/c1-18-10-8-6-4-3-5-7-9-11-22(46-33-31(41)29(34)30(40)19(2)45-33)17-24(38)28(32(42)43)23(37)15-20(35)14-21(36)16-26-25(47-26)12-13-27(39)44-18/h3-9,11-13,18-19,21-26,28-31,33,36-38,40-41H,10,14-17,34H2,1-2H3,(H,42,43)/b4-3-,7-5-,8-6-,11-9-,13-12-/t18-,19+,21-,22+,23+,24-,25-,26+,28+,29-,30+,31-,33-/m1/s1
C33H47NO13665.72521100

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