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: QYISKDXFGLVJKT (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9161249

27 of 27 defined stereocentres - 27/27 defined
InChI=1/C60H90O26/c1-26(2)9-13-35(63)27(3)60(74)42(84-57-52(80-28(4)62)50(37(65)24-78-57)86-56-51(43(66)36(64)23-77-56)85-53(73)29-10-14-38(75-7)39(19-29)76-8)21-34-32-12-11-30-20-31(15-17-58(30,5)33(32)16-18-59(34,60)6)81-55-49(72)47(70)45(68)41(83-55)25-79-54-48(71)46(69)44(67)40(22-61)82-54/h10-11,14,19,26-27,31-34,36-37,40-52,54-57,61,64-72,74H,9,12-13,15-18,20-25H2,1-8H3/t27-,31+,32-,33+,34+,36-,37+,40-,41-,42+,43+,44-,45-,46+,47+,48-,49-,50+,51-,52-,54-,55-,56+,57+,58+,59+,60-/m1/s1
C60H90O261227.3415400
29367953

27 of 27 defined stereocentres - 27/27 defined
InChI=1/C60H90O26/c1-26(2)9-13-35(63)27(3)60(74)42(84-57-52(80-28(4)62)50(37(65)24-78-57)86-56-51(43(66)36(64)23-77-56)85-53(73)29-10-14-38(75-7)39(19-29)76-8)21-34-32-12-11-30-20-31(15-17-58(30,5)33(32)16-18-59(34,60)6)81-55-49(72)47(70)45(68)41(83-55)25-79-54-48(71)46(69)44(67)40(22-61)82-54/h10-11,14,19,26-27,31-34,36-37,40-52,54-57,61,64-72,74H,9,12-13,15-18,20-25H2,1-8H3/t27-,31-,32+,33-,34-,36+,37-,40+,41+,42-,43-,44+,45+,46-,47-,48+,49+,50-,51+,52+,54+,55+,56-,57-,58-,59-,60+/m0/s1
C60H90O261227.3412300

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