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 6 results

Search term: PYYCXUBJCCEGKB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
17240409

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C19H30O8/c1-10-6-11(22)7-19(2,3)13(10)5-4-12(8-20)26-18-17(25)16(24)15(23)14(9-21)27-18/h4-6,12-18,20-21,23-25H,7-9H2,1-3H3/b5-4+/t12?,13-,14+,15+,16-,17+,18+/m0/s1
C19H30O8386.436710700
62564473

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C19H30O8/c1-10-6-11(22)7-19(2,3)13(10)5-4-12(8-20)26-18-17(25)16(24)15(23)14(9-21)27-18/h4-6,12-18,20-21,23-25H,7-9H2,1-3H3/b5-4+/t12-,13-,14+,15+,16-,17+,18+/m0/s1
C19H30O8386.43672300
62564474

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C19H30O8/c1-10-6-11(22)7-19(2,3)13(10)5-4-12(8-20)26-18-17(25)16(24)15(23)14(9-21)27-18/h4-6,12-18,20-21,23-25H,7-9H2,1-3H3/b5-4+/t12-,13+,14-,15-,16+,17-,18-/m1/s1
C19H30O8386.43672200
9513107

Double-bond stereo

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C19H30O8/c1-10-6-11(22)7-19(2,3)13(10)5-4-12(8-20)26-18-17(25)16(24)15(23)14(9-21)27-18/h4-6,12-18,20-21,23-25H,7-9H2,1-3H3/b5-4+/t12?,13?,14-,15-,16+,17-,18-/m1/s1
C19H30O8386.43672100
113600545

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C19H30O8/c1-10-6-11(22)7-19(2,3)13(10)5-4-12(8-20)26-18-17(25)16(24)15(23)14(9-21)27-18/h4-6,12-18,20-21,23-25H,7-9H2,1-3H3/b5-4+/t12?,13-,14+,15+,16-,17+,18+/m1/s1
C19H30O8386.43671100
17240410

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C19H30O8/c1-10-6-11(22)7-19(2,3)13(10)5-4-12(8-20)26-18-17(25)16(24)15(23)14(9-21)27-18/h4-6,12-18,20-21,23-25H,7-9H2,1-3H3/b5-4+/t12?,13-,14-,15-,16+,17-,18-/m1/s1
C19H30O8386.43671100

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