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: BPPAROUEECPSAP (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10047265

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C16H14O5/c1-8(17)21-12-7-3-5-10-14(12)16(20)13-9(15(10)19)4-2-6-11(13)18/h2-4,6-7,10,12,14,18H,5H2,1H3/t10-,12+,14-/m0/s1
C16H14O5286.2794171000
240541

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C16H14O5/c1-8(17)21-12-7-3-5-10-14(12)16(20)13-9(15(10)19)4-2-6-11(13)18/h2-4,6-7,10,12,14,18H,5H2,1H3
C16H14O5286.279414800
21509822

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C16H14O5/c1-8(17)21-12-7-3-5-10-14(12)16(20)13-9(15(10)19)4-2-6-11(13)18/h2-4,6-7,10,12,14,18H,5H2,1H3/t10?,12-,14?/m1/s1
C16H14O5286.27945200
809579

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C16H14O5/c1-8(17)21-12-7-3-5-10-14(12)16(20)13-9(15(10)19)4-2-6-11(13)18/h2-4,6-7,10,12,14,18H,5H2,1H3/t10-,12-,14-/m0/s1
C16H14O5286.27943200
628211

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C16H14O5/c1-8(17)21-12-7-3-5-10-14(12)16(20)13-9(15(10)19)4-2-6-11(13)18/h2-4,6-7,10,12,14,18H,5H2,1H3/t10-,12-,14-/m1/s1
C16H14O5286.27942100
21187243

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C16H14O5/c1-8(17)21-12-7-3-5-10-14(12)16(20)13-9(15(10)19)4-2-6-11(13)18/h2-4,6-7,10,12,14,18H,5H2,1H3/t10-,12+,14-/m1/s1
C16H14O5286.27942200

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