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: C[C@@]12[C@@](C(C=C3C2[C@H](O)C[C@@]4(C)[C@@]3(O)CC[C@@H]4[C@](C)([C@H](O[C@H](O)[C@@H]/5O)CC5=C(C)/C)O)=O)([H])C[C@@H](O)[C@@H](O)C1 (Found by conversion of search term to chemical structure (connectivity match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
113385292

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C29H44O9/c1-13(2)14-8-22(38-25(35)24(14)34)28(5,36)21-6-7-29(37)16-10-17(30)15-9-18(31)19(32)11-26(15,3)23(16)20(33)12-27(21,29)4/h10,15,18-25,31-37H,6-9,11-12H2,1-5H3/t15-,18+,19-,20+,21-,22-,23+,24+,25-,26-,27+,28+,29+/m0/s1
C29H44O9536.65431100
113385293

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C29H44O9/c1-13(2)14-8-22(38-25(35)24(14)34)28(5,36)21-6-7-29(37)16-10-17(30)15-9-18(31)19(32)11-26(15,3)23(16)20(33)12-27(21,29)4/h10,15,18-25,31-37H,6-9,11-12H2,1-5H3/t15-,18+,19-,20+,21-,22+,23+,24+,25-,26-,27+,28+,29+/m0/s1
C29H44O9536.65431100

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