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 5 results

Search term: IRSBSJCQLYNPLV (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4579621

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C16H26O7/c1-6-19-12(17)8-7-10-14(23-16(4,5)21-10)13(18)11-9-20-15(2,3)22-11/h7-8,10-11,13-14,18H,6,9H2,1-5H3/b8-7-/t10-,11-,13-,14-/m1/s1
C16H26O7330.37345500
4750233

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C16H26O7/c1-6-19-12(17)8-7-10-14(23-16(4,5)21-10)13(18)11-9-20-15(2,3)22-11/h7-8,10-11,13-14,18H,6,9H2,1-5H3/b8-7+
C16H26O7330.37343300
5011423

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C16H26O7/c1-6-19-12(17)8-7-10-14(23-16(4,5)21-10)13(18)11-9-20-15(2,3)22-11/h7-8,10-11,13-14,18H,6,9H2,1-5H3/b8-7+/t10-,11-,13-,14-/m1/s1
C16H26O7330.37343200
343811

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C16H26O7/c1-6-19-12(17)8-7-10-14(23-16(4,5)21-10)13(18)11-9-20-15(2,3)22-11/h7-8,10-11,13-14,18H,6,9H2,1-5H3/t10-,11-,13-,14-/m1/s1
C16H26O7330.37342100
434427

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C16H26O7/c1-6-19-12(17)8-7-10-14(23-16(4,5)21-10)13(18)11-9-20-15(2,3)22-11/h7-8,10-11,13-14,18H,6,9H2,1-5H3
C16H26O7330.37342100

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