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: VFMZATKQNDOTPM (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
58785769

Double-bond stereo

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C58H86N2O18/c1-34-16-12-11-13-17-35(2)46(71-8)32-42-21-19-40(7)58(70,77-42)54(66)55(67)59-25-15-14-18-43(59)56(68)76-47(33-44(61)36(3)29-39(6)52(65)53(73-10)51(64)38(5)28-34)37(4)30-41-20-22-45(48(31-41)72-9)74-26-27-75-57(69)78-60-49(62)23-24-50(60)63/h11-13,16-17,29,34,36-38,40-43,45-48,52-53,65,70H,14-15,18-28,30-33H2,1-10H3/b13-11+,16-12+,35-17+,39-29+/t34-,36-,37-,38-,40-,41+,42+,43+,45-,46+,47+,48-,52-,53+,58-/m1/s1
C58H86N2O181099.3061100
107442491

Double-bond stereo

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C58H86N2O18/c1-34-16-12-11-13-17-35(2)46(71-8)32-42-21-19-40(7)58(70,77-42)54(66)55(67)59-25-15-14-18-43(59)56(68)76-47(33-44(61)36(3)29-39(6)52(65)53(73-10)51(64)38(5)28-34)37(4)30-41-20-22-45(48(31-41)72-9)74-26-27-75-57(69)78-60-49(62)23-24-50(60)63/h11-13,16-17,29,34,36-38,40-43,45-48,52-53,65,70H,14-15,18-28,30-33H2,1-10H3/b13-11?,16-12+,35-17+,39-29+/t34-,36-,37-,38-,40-,41+,42+,43+,45-,46+,47+,48-,52-,53+,58-/m1/s1
C58H86N2O181099.3061300
110417866

Double-bond stereo

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C58H86N2O18/c1-34-16-12-11-13-17-35(2)46(71-8)32-42-21-19-40(7)58(70,77-42)54(66)55(67)59-25-15-14-18-43(59)56(68)76-47(33-44(61)36(3)29-39(6)52(65)53(73-10)51(64)38(5)28-34)37(4)30-41-20-22-45(48(31-41)72-9)74-26-27-75-57(69)78-60-49(62)23-24-50(60)63/h11-13,16-17,29,34,36-38,40-43,45-48,52-53,65,70H,14-15,18-28,30-33H2,1-10H3/b13-11u,16-12+,35-17+,39-29+/t34-,36-,37-,38-,40-,41+,42+,43+,45-,46+,47+,48-,52-,53+,58-/m1/s1
C58H86N2O181099.3061100
111311251

Double-bond stereo

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C58H86N2O18/c1-34-16-12-11-13-17-35(2)46(71-8)32-42-21-19-40(7)58(70,77-42)54(66)55(67)59-25-15-14-18-43(59)56(68)76-47(33-44(61)36(3)29-39(6)52(65)53(73-10)51(64)38(5)28-34)37(4)30-41-20-22-45(48(31-41)72-9)74-26-27-75-57(69)78-60-49(62)23-24-50(60)63/h11-13,16-17,29,34,36-38,40-43,45-48,52-53,65,70H,14-15,18-28,30-33H2,1-10H3/b13-11-,16-12-,35-17-,39-29-/t34-,36-,37-,38-,40-,41+,42+,43+,45-,46+,47+,48-,52-,53+,58-/m1/s1
C58H86N2O181099.3061100
111311283

Double-bond stereo

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C58H86N2O18/c1-34-16-12-11-13-17-35(2)46(71-8)32-42-21-19-40(7)58(70,77-42)54(66)55(67)59-25-15-14-18-43(59)56(68)76-47(33-44(61)36(3)29-39(6)52(65)53(73-10)51(64)38(5)28-34)37(4)30-41-20-22-45(48(31-41)72-9)74-26-27-75-57(69)78-60-49(62)23-24-50(60)63/h11-13,16-17,29,34,36-38,40-43,45-48,52-53,65,70H,14-15,18-28,30-33H2,1-10H3/b13-11-,16-12-,35-17-,39-29-/t34-,36+,37+,38-,40+,41-,42-,43-,45+,46-,47-,48-,52+,53+,58+/m1/s1
C58H86N2O181099.3061100

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