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: C1[C@]2(C(=CC(=O)C1)C(=O)C=C1[C@@H]2CC[C@]2(C1CC[C@@H]2[C@H](C)/C=C/[C@@H](C(C)C)C)C)C (Found by conversion of search term to chemical structure (connectivity match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9352391

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C28H40O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-16-26(30)25-15-20(29)11-13-28(25,6)24(21)12-14-27(22,23)5/h7-8,15-19,22-24H,9-14H2,1-6H3/b8-7+/t18-,19+,22+,23-,24-,27+,28+/m0/s1
C28H40O2408.6168800
29212478

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C28H40O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-16-26(30)25-15-20(29)11-13-28(25,6)24(21)12-14-27(22,23)5/h7-8,15-19,22-24H,9-14H2,1-6H3/b8-7+/t18?,19-,22-,23+,24+,27-,28-/m1/s1
C28H40O2408.6162200

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