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 2 results

Search term: FARWHBCLUSAOJD (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24849460

Double-bond stereo

22 of 34 defined stereocentres - 22/34 defined
InChI=1/C86H152N4O39/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-60(104)90-50(51(100)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2)46-118-80-70(111)69(110)73(59(45-96)122-80)123-81-71(112)77(66(107)56(42-93)120-81)125-79-63(89-49(5)99)74(65(106)55(41-92)119-79)124-82-72(113)78(67(108)57(43-94)121-82)129-86(84(116)117)39-53(102)62(88-48(4)98)76(128-86)68(109)58(44-95)126-85(83(114)115)38-52(101)61(87-47(3)97)75(127-85)64(105)54(103)40-91/h34,36,50-59,61-82,91-96,100-103,105-113H,6-33,35,37-46H2,1-5H3,(H,87,97)(H,88,98)(H,89,99)(H,90,104)(H,114,115)(H,116,117)/b36-34+/t50-,51+,52?,53?,54+,55?,56?,57?,58+,59?,61+,62+,63?,64+,65+,66-,67-,68+,69+,70?,71?,72?,73+,74+,75?,76?,77-,78-,79-,80+,81-,82-,85+,86-/m0/s1
C86H152N4O391866.13051100
113384395

Double-bond stereo

34 of 34 defined stereocentres - 34/34 defined
InChI=1/C86H152N4O39/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-60(104)90-50(51(100)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2)46-118-80-70(111)69(110)73(59(45-96)122-80)123-81-71(112)77(66(107)56(42-93)120-81)125-79-63(89-49(5)99)74(65(106)55(41-92)119-79)124-82-72(113)78(67(108)57(43-94)121-82)129-86(84(116)117)39-53(102)62(88-48(4)98)76(128-86)68(109)58(44-95)126-85(83(114)115)38-52(101)61(87-47(3)97)75(127-85)64(105)54(103)40-91/h34,36,50-59,61-82,91-96,100-103,105-113H,6-33,35,37-46H2,1-5H3,(H,87,97)(H,88,98)(H,89,99)(H,90,104)(H,114,115)(H,116,117)/b36-34+/t50-,51+,52-,53-,54+,55+,56+,57+,58+,59+,61+,62+,63+,64+,65-,66-,67-,68+,69+,70+,71+,72+,73+,74+,75+,76+,77-,78-,79-,80+,81-,82-,85+,86-/m0/s1
C86H152N4O391866.13051100

Advertisement