Matches any text strings used to describe a molecule.
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 4 results

Search term: JOEPUFOWFXWEDN (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8009154

Double-bond stereo

0 of 24 defined stereocentres - 0/24 defined
InChI=1/C59H89ClO19/c1-31(16-38(61)15-14-32(2)60)17-49-51(67)53-36(6)54(73-49)55(68)59(70)28-47(65)34(4)48(79-59)13-11-9-10-12-41-19-39(62)24-57(75-41)27-44(71-8)21-43(76-57)22-46(64)35(5)52-33(3)37(29-72-52)18-45-26-56(7,69)30-58(78-45)25-40(63)20-42(77-58)23-50(66)74-53/h10,12,14-15,18,33-36,38-45,47-49,51-55,61-63,65,67-70H,1-2,9,11,13,16-17,19-30H2,3-8H3/b12-10-,15-14+,37-18-
C59H89ClO191137.77964300
8030678

Double-bond stereo

24 of 24 defined stereocentres - 24/24 defined
InChI=1/C59H89ClO19/c1-31(16-38(61)15-14-32(2)60)17-49-51(67)53-36(6)54(73-49)55(68)59(70)28-47(65)34(4)48(79-59)13-11-9-10-12-41-19-39(62)24-57(75-41)27-44(71-8)21-43(76-57)22-46(64)35(5)52-33(3)37(29-72-52)18-45-26-56(7,69)30-58(78-45)25-40(63)20-42(77-58)23-50(66)74-53/h10,12,14-15,18,33-36,38-45,47-49,51-55,61-63,65,67-70H,1-2,9,11,13,16-17,19-30H2,3-8H3/b12-10-,15-14+,37-18+/t33-,34-,35+,36-,38-,39+,40+,41+,42-,43+,44+,45+,47+,48-,49-,51-,52+,53-,54-,55+,56+,57-,58-,59-/m1/s1
C59H89ClO191137.77962100
57641822

Double-bond stereo

18 of 24 defined stereocentres - 18/24 defined
InChI=1/C59H89ClO19/c1-31(16-38(61)15-14-32(2)60)17-49-51(67)53-36(6)54(73-49)55(68)59(70)28-47(65)34(4)48(79-59)13-11-9-10-12-41-19-39(62)24-57(75-41)27-44(71-8)21-43(76-57)22-46(64)35(5)52-33(3)37(29-72-52)18-45-26-56(7,69)30-58(78-45)25-40(63)20-42(77-58)23-50(66)74-53/h10,12,14-15,18,33-36,38-45,47-49,51-55,61-63,65,67-70H,1-2,9,11,13,16-17,19-30H2,3-8H3/b12-10-,15-14+,37-18-/t33?,34-,35-,36?,38-,39+,40+,41+,42-,43+,44+,45+,47+,48-,49-,51-,52+,53?,54?,55+,56+,57?,58?,59-/m1/s1
C59H89ClO191137.77961100
129306066

Double-bond stereo

0 of 24 defined stereocentres - 0/24 defined
InChI=1/C59H89ClO19/c1-31(16-38(61)15-14-32(2)60)17-49-51(67)53-36(6)54(73-49)55(68)59(70)28-47(65)34(4)48(79-59)13-11-9-10-12-41-19-39(62)24-57(75-41)27-44(71-8)21-43(76-57)22-46(64)35(5)52-33(3)37(29-72-52)18-45-26-56(7,69)30-58(78-45)25-40(63)20-42(77-58)23-50(66)74-53/h10,12,14-15,18,33-36,38-45,47-49,51-55,61-63,65,67-70H,1-2,9,11,13,16-17,19-30H2,3-8H3/b12-10-,15-14+,37-18-/t33-,34-,35-,36-,38-,39+,40+,41+,42-,43+,44+,45+,47+,48-,49-,51-,52+,53-,54-,55+,56+,57-,58-,59-/m1/s1
C59H89ClO191137.77961100

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