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: DJPFSNIGMPPGIW (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24848322

Double-bond stereo

14 of 22 defined stereocentres - 14/22 defined
InChI=1/C60H110N2O23/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-39(68)38(62-44(69)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)36-78-58-51(75)50(74)54(43(35-66)82-58)83-59-53(77)56(48(72)42(34-65)80-59)85-60-52(76)55(47(71)41(33-64)81-60)84-57-45(61-37(3)67)49(73)46(70)40(32-63)79-57/h28,30,38-43,45-60,63-66,68,70-77H,4-27,29,31-36H2,1-3H3,(H,61,67)(H,62,69)/b30-28+/t38-,39+,40?,41?,42?,43?,45?,46-,47-,48-,49+,50+,51?,52?,53?,54+,55-,56-,57-,58+,59-,60+/m0/s1
C60H110N2O231227.5151100
24848338

Double-bond stereo

14 of 22 defined stereocentres - 14/22 defined
InChI=1/C60H110N2O23/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-39(68)38(62-44(69)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)36-78-58-51(75)50(74)54(43(35-66)82-58)83-59-53(77)56(48(72)42(34-65)80-59)85-60-52(76)55(47(71)41(33-64)81-60)84-57-45(61-37(3)67)49(73)46(70)40(32-63)79-57/h28,30,38-43,45-60,63-66,68,70-77H,4-27,29,31-36H2,1-3H3,(H,61,67)(H,62,69)/b30-28+/t38-,39+,40?,41?,42?,43?,45?,46+,47-,48-,49+,50+,51?,52?,53?,54+,55-,56-,57-,58+,59-,60+/m0/s1
C60H110N2O231227.5151100
113383529

Double-bond stereo

22 of 22 defined stereocentres - 22/22 defined
InChI=1/C60H110N2O23/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-39(68)38(62-44(69)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)36-78-58-51(75)50(74)54(43(35-66)82-58)83-59-53(77)56(48(72)42(34-65)80-59)85-60-52(76)55(47(71)41(33-64)81-60)84-57-45(61-37(3)67)49(73)46(70)40(32-63)79-57/h28,30,38-43,45-60,63-66,68,70-77H,4-27,29,31-36H2,1-3H3,(H,61,67)(H,62,69)/b30-28+/t38-,39+,40+,41+,42+,43+,45+,46-,47-,48-,49+,50+,51+,52+,53+,54+,55-,56-,57-,58+,59-,60+/m0/s1
C60H110N2O231227.5151100
113383545

Double-bond stereo

22 of 22 defined stereocentres - 22/22 defined
InChI=1/C60H110N2O23/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-39(68)38(62-44(69)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)36-78-58-51(75)50(74)54(43(35-66)82-58)83-59-53(77)56(48(72)42(34-65)80-59)85-60-52(76)55(47(71)41(33-64)81-60)84-57-45(61-37(3)67)49(73)46(70)40(32-63)79-57/h28,30,38-43,45-60,63-66,68,70-77H,4-27,29,31-36H2,1-3H3,(H,61,67)(H,62,69)/b30-28+/t38-,39+,40+,41+,42+,43+,45+,46+,47-,48-,49+,50+,51+,52+,53+,54+,55-,56-,57-,58+,59-,60+/m0/s1
C60H110N2O231227.5151100

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