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 3 results

Search term: PDCXCJUQXPDCGB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10142455

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C37H38O19/c1-50-21-10-16(5-8-19(21)40)34-35(29(45)26-20(41)11-18(12-22(26)53-34)52-36-32(48)30(46)27(43)23(13-38)54-36)56-37-33(49)31(47)28(44)24(55-37)14-51-25(42)9-4-15-2-6-17(39)7-3-15/h2-12,23-24,27-28,30-33,36-41,43-44,46-49H,13-14H2,1H3/b9-4+/t23-,24-,27-,28-,30-,31-,32-,33-,36-,37+/m1/s1
C37H38O19786.68622200
24843629

Double-bond stereo

6 of 10 defined stereocentres - 6/10 defined
InChI=1/C37H38O19/c1-50-21-10-16(5-8-19(21)40)34-35(29(45)26-20(41)11-18(12-22(26)53-34)52-36-32(48)30(46)27(43)23(13-38)54-36)56-37-33(49)31(47)28(44)24(55-37)14-51-25(42)9-4-15-2-6-17(39)7-3-15/h2-12,23-24,27-28,30-33,36-41,43-44,46-49H,13-14H2,1H3/b9-4+/t23?,24?,27-,28-,30+,31+,32?,33?,36-,37+/m1/s1
C37H38O19786.68621100
115269501

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C37H38O19/c1-50-21-10-16(5-8-19(21)40)34-35(29(45)26-20(41)11-18(12-22(26)53-34)52-36-32(48)30(46)27(43)23(13-38)54-36)56-37-33(49)31(47)28(44)24(55-37)14-51-25(42)9-4-15-2-6-17(39)7-3-15/h2-12,23-24,27-28,30-33,36-41,43-44,46-49H,13-14H2,1H3/b9-4+/t23-,24-,27-,28-,30+,31+,32-,33-,36-,37+/m1/s1
C37H38O19786.68621100

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