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: BDKOXGFFUPKZPF (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
31046473

35 of 35 defined stereocentres - 35/35 defined
InChI=1/C112H196O49Si7/c1-57(113)134-85-78-71(50-127-162(36,37)106(15,16)17)148-99(92(85)141-64(8)120)156-79-72(51-128-163(38,39)107(18,19)20)150-101(94(143-66(10)122)86(79)135-58(2)114)158-81-74(53-130-165(42,43)109(24,25)26)152-103(96(145-68(12)124)88(81)137-60(4)116)160-83-76(55-132-167(46,47)111(30,31)32)154-105(98(147-70(14)126)90(83)139-62(6)118)161-84-77(56-133-168(48,49)112(33,34)35)153-104(97(146-69(13)125)91(84)140-63(7)119)159-82-75(54-131-166(44,45)110(27,28)29)151-102(95(144-67(11)123)89(82)138-61(5)117)157-80-73(52-129-164(40,41)108(21,22)23)149-100(155-78)93(142-65(9)121)87(80)136-59(3)115/h71-105H,50-56H2,1-49H3/t71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85+,86+,87+,88+,89+,90+,91+,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-/m1/s1
C112H196O49Si72523.32378800
28581521

0 of 35 defined stereocentres - 0/35 defined
InChI=1/C112H196O49Si7/c1-57(113)134-85-78-71(50-127-162(36,37)106(15,16)17)148-99(92(85)141-64(8)120)156-79-72(51-128-163(38,39)107(18,19)20)150-101(94(143-66(10)122)86(79)135-58(2)114)158-81-74(53-130-165(42,43)109(24,25)26)152-103(96(145-68(12)124)88(81)137-60(4)116)160-83-76(55-132-167(46,47)111(30,31)32)154-105(98(147-70(14)126)90(83)139-62(6)118)161-84-77(56-133-168(48,49)112(33,34)35)153-104(97(146-69(13)125)91(84)140-63(7)119)159-82-75(54-131-166(44,45)110(27,28)29)151-102(95(144-67(11)123)89(82)138-61(5)117)157-80-73(52-129-164(40,41)108(21,22)23)149-100(155-78)93(142-65(9)121)87(80)136-59(3)115/h71-105H,50-56H2,1-49H3
C112H196O49Si72523.32375400
57550001

33 of 35 defined stereocentres - 33/35 defined
InChI=1/C112H196O49Si7/c1-57(113)134-85-78-71(50-127-162(36,37)106(15,16)17)148-99(92(85)141-64(8)120)156-79-72(51-128-163(38,39)107(18,19)20)150-101(94(143-66(10)122)86(79)135-58(2)114)158-81-74(53-130-165(42,43)109(24,25)26)152-103(96(145-68(12)124)88(81)137-60(4)116)160-83-76(55-132-167(46,47)111(30,31)32)154-105(98(147-70(14)126)90(83)139-62(6)118)161-84-77(56-133-168(48,49)112(33,34)35)153-104(97(146-69(13)125)91(84)140-63(7)119)159-82-75(54-131-166(44,45)110(27,28)29)151-102(95(144-67(11)123)89(82)138-61(5)117)157-80-73(52-129-164(40,41)108(21,22)23)149-100(155-78)93(142-65(9)121)87(80)136-59(3)115/h71-105H,50-56H2,1-49H3/t71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87?,88+,89+,90-,91?,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-/m1/s1
C112H196O49Si72523.32371100
114798174

14 of 35 defined stereocentres - 14/35 defined
InChI=1/C112H196O49Si7/c1-57(113)134-85-78-71(50-127-162(36,37)106(15,16)17)148-99(92(85)141-64(8)120)156-79-72(51-128-163(38,39)107(18,19)20)150-101(94(143-66(10)122)86(79)135-58(2)114)158-81-74(53-130-165(42,43)109(24,25)26)152-103(96(145-68(12)124)88(81)137-60(4)116)160-83-76(55-132-167(46,47)111(30,31)32)154-105(98(147-70(14)126)90(83)139-62(6)118)161-84-77(56-133-168(48,49)112(33,34)35)153-104(97(146-69(13)125)91(84)140-63(7)119)159-82-75(54-131-166(44,45)110(27,28)29)151-102(95(144-67(11)123)89(82)138-61(5)117)157-80-73(52-129-164(40,41)108(21,22)23)149-100(155-78)93(142-65(9)121)87(80)136-59(3)115/h71-105H,50-56H2,1-49H3/t71?,72?,73?,74?,75?,76?,77?,78-,79-,80-,81-,82-,83-,84-,85?,86?,87?,88?,89?,90?,91?,92?,93?,94?,95?,96?,97?,98?,99-,100-,101-,102-,103+,104+,105-/m0/s1
C112H196O49Si72523.32371100

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