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: BDNPNJLFWPTWDX (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9666600

Charge

Double-bond stereo

20 of 23 defined stereocentres - 20/23 defined
InChI=1/C59H100O23S.Na/c1-6-7-8-9-10-11-12-13-14-15-16-20-23-42(63)53(72)58-56(75)48(69)33-50(81-58)57(76)52(71)37(4)25-27-41(62)49-32-47(68)55(74)59(80-49)54(73)45(66)29-36(3)24-26-39(61)31-46(67)51(70)38(5)30-44(65)43(64)28-35(2)21-18-17-19-22-40(34-60)82-83(77,78)79;/h6,9-14,17,19-20,23,29,35,38-76H,1,4,7-8,15-16,18,21-22,24-28,30-34H2,2-3,5H3,(H,77,78,79);/q;+1/p-1/b10-9+,12-11+,14-13+,19-17+,23-20+,36-29+;/t35?,38-,39-,40?,41+,42+,43?,44-,45+,46-,47+,48+,49+,50+,51+,52+,53-,54-,55+,56+,57-,58-,59-;/m0./s1
C59H99NaO23S1231.45834400
28282973

Charge

Double-bond stereo

19 of 23 defined stereocentres - 19/23 defined
InChI=1/C59H100O23S.Na/c1-6-7-8-9-10-11-12-13-14-15-16-20-23-42(63)53(72)58-56(75)48(69)33-50(81-58)57(76)52(71)37(4)25-27-41(62)49-32-47(68)55(74)59(80-49)54(73)45(66)29-36(3)24-26-39(61)31-46(67)51(70)38(5)30-44(65)43(64)28-35(2)21-18-17-19-22-40(34-60)82-83(77,78)79;/h6,9-14,17,19-20,23,29,35,38-76H,1,4,7-8,15-16,18,21-22,24-28,30-34H2,2-3,5H3,(H,77,78,79);/q;+1/p-1/b10-9+,12-11+,14-13+,19-17+,23-20+,36-29+;/t35?,38-,39-,40?,41+,42+,43?,44-,45+,46-,47+,48+,49+,50-,51+,52+,53+,54-,55+,56-,57?,58-,59-;/m0./s1/rC59H99NaO23S/c1-6-7-8-9-10-11-12-13-14-15-16-20-23-42(64)53(73)58-56(76)48(70)33-50(81-58)57(77)52(72)37(4)25-27-41(63)49-32-47(69)55(75)59(80-49)54(74)45(67)29-36(3)24-26-39(62)31-46(68)51(71)38(5)30-44(66)43(65)28-35(2)21-18-17-19-22-40(34-61)82-84(78,79)83-60/h6,9-14,17,19-20,23,29,35,38-59,61-77H,1,4,7-8,15-16,18,21-22,24-28,30-34H2,2-3,5H3/b10-9+,12-11+,14-13+,19-17+,23-20+,36-29+/t35?,38-,39-,40?,41+,42+,43?,44-,45+,46-,47+,48+,49+,50-,51+,52+,53+,54-,55+,56-,57?,58-,59-/m0/s1
C59H99NaO23S1231.45831100

Advertisement