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 5 results

Search term: MKSDSPVSZRMRNY (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9161332

40 of 40 defined stereocentres - 40/40 defined
InChI=1/C96H192O40Si8/c1-89(2,3)137(25,26)113-41-49-73-57(97)65(105)81(121-49)130-74-50(42-114-138(27,28)90(4,5)6)123-83(67(107)59(74)99)132-76-52(44-116-140(31,32)92(10,11)12)125-85(69(109)61(76)101)134-78-54(46-118-142(35,36)94(16,17)18)127-87(71(111)63(78)103)136-80-56(48-120-144(39,40)96(22,23)24)128-88(72(112)64(80)104)135-79-55(47-119-143(37,38)95(19,20)21)126-86(70(110)62(79)102)133-77-53(45-117-141(33,34)93(13,14)15)124-84(68(108)60(77)100)131-75-51(43-115-139(29,30)91(7,8)9)122-82(129-73)66(106)58(75)98/h49-88,97-112H,41-48H2,1-40H3/t49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-/m1/s1
C96H192O40Si82211.21178600
13105761

40 of 40 defined stereocentres - 40/40 defined
InChI=1/C96H192O40Si8/c1-89(2,3)137(25,26)113-41-49-73-57(97)65(105)81(121-49)130-74-50(42-114-138(27,28)90(4,5)6)123-83(67(107)59(74)99)132-76-52(44-116-140(31,32)92(10,11)12)125-85(69(109)61(76)101)134-78-54(46-118-142(35,36)94(16,17)18)127-87(71(111)63(78)103)136-80-56(48-120-144(39,40)96(22,23)24)128-88(72(112)64(80)104)135-79-55(47-119-143(37,38)95(19,20)21)126-86(70(110)62(79)102)133-77-53(45-117-141(33,34)93(13,14)15)124-84(68(108)60(77)100)131-75-51(43-115-139(29,30)91(7,8)9)122-82(129-73)66(106)58(75)98/h49-88,97-112H,41-48H2,1-40H3/t49-,50-,51-,52-,53-,54-,55-,56+,57-,58-,59-,60-,61-,62-,63-,64-,65+,66+,67+,68-,69+,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-/m1/s1
C96H192O40Si82211.211681100
93570512

40 of 40 defined stereocentres - 40/40 defined
InChI=1/C96H192O40Si8/c1-89(2,3)137(25,26)113-41-49-73-57(97)65(105)81(121-49)130-74-50(42-114-138(27,28)90(4,5)6)123-83(67(107)59(74)99)132-76-52(44-116-140(31,32)92(10,11)12)125-85(69(109)61(76)101)134-78-54(46-118-142(35,36)94(16,17)18)127-87(71(111)63(78)103)136-80-56(48-120-144(39,40)96(22,23)24)128-88(72(112)64(80)104)135-79-55(47-119-143(37,38)95(19,20)21)126-86(70(110)62(79)102)133-77-53(45-117-141(33,34)93(13,14)15)124-84(68(108)60(77)100)131-75-51(43-115-139(29,30)91(7,8)9)122-82(129-73)66(106)58(75)98/h49-88,97-112H,41-48H2,1-40H3/t49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69+,70+,71+,72+,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-/m1/s1
C96H192O40Si82211.21171100
128915943

0 of 40 defined stereocentres - 0/40 defined
InChI=1/C96H192O40Si8/c1-89(2,3)137(25,26)113-41-49-73-57(97)65(105)81(121-49)130-74-50(42-114-138(27,28)90(4,5)6)123-83(67(107)59(74)99)132-76-52(44-116-140(31,32)92(10,11)12)125-85(69(109)61(76)101)134-78-54(46-118-142(35,36)94(16,17)18)127-87(71(111)63(78)103)136-80-56(48-120-144(39,40)96(22,23)24)128-88(72(112)64(80)104)135-79-55(47-119-143(37,38)95(19,20)21)126-86(70(110)62(79)102)133-77-53(45-117-141(33,34)93(13,14)15)124-84(68(108)60(77)100)131-75-51(43-115-139(29,30)91(7,8)9)122-82(129-73)66(106)58(75)98/h49-88,97-112H,41-48H2,1-40H3
C96H192O40Si82211.21171100

Advertisement