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
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Found 2 results

Search term: NPMVUFZESHCHRF (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24679595

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C41H70O14/c1-19(2)9-8-10-20(3)29-27(16-23-28-22(12-14-41(23,29)5)40(4)13-11-21(42)15-24(40)30(45)31(28)46)52-39-34(49)37(36(54-39)26(44)18-51-7)55-38-33(48)32(47)35(53-38)25(43)17-50-6/h19-22,24-27,29-39,42-49H,8-18H2,1-7H3/t20-,21-,22+,24-,25+,26+,27-,29+,30+,31-,32-,33-,34-,35+,36+,37-,38+,39-,40-,41+/m1/s1
C41H70O14786.98614400
29214237

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C41H70O14/c1-19(2)9-8-10-20(3)29-27(16-23-28-22(12-14-41(23,29)5)40(4)13-11-21(42)15-24(40)30(45)31(28)46)52-39-34(49)37(36(54-39)26(44)18-51-7)55-38-33(48)32(47)35(53-38)25(43)17-50-6/h19-22,24-27,29-39,42-49H,8-18H2,1-7H3/t20-,21+,22+,24-,25+,26+,27-,29+,30+,31-,32-,33-,34-,35+,36+,37-,38+,39-,40-,41+/m1/s1
C41H70O14786.98612200

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