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 8 results

Search term: PPYRMVKHPFIXEU (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
17220782

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C20H30O5/c1-15(21)7-6-8-17(22)13-11-16-12-14-19(23)18(16)9-4-2-3-5-10-20(24)25/h2,4,11,13,15,17,21-22H,3,5-10,12,14H2,1H3,(H,24,25)/b4-2-,13-11+/t15-,17+/m1/s1
C20H30O5350.4492121000
4446235

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C20H30O5/c1-15(21)7-6-8-17(22)13-11-16-12-14-19(23)18(16)9-4-2-3-5-10-20(24)25/h2,4,11,13,15,17,21-22H,3,5-10,12,14H2,1H3,(H,24,25)/b4-2-,13-11+/t15?,17-/m0/s1
C20H30O5350.44924500
8125904

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C20H30O5/c1-15(21)7-6-8-17(22)13-11-16-12-14-19(23)18(16)9-4-2-3-5-10-20(24)25/h2,4,11,13,15,17,21-22H,3,5-10,12,14H2,1H3,(H,24,25)/b4-2+,13-11+
C20H30O5350.44924400
24822054

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C20H30O5/c1-15(21)7-6-8-17(22)13-11-16-12-14-19(23)18(16)9-4-2-3-5-10-20(24)25/h2,4,11,13,15,17,21-22H,3,5-10,12,14H2,1H3,(H,24,25)/b4-2-,13-11+/t15u,17-/m0/s1
C20H30O5350.44921100
64884673

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C20H30O5/c1-15(21)7-6-8-17(22)13-11-16-12-14-19(23)18(16)9-4-2-3-5-10-20(24)25/h2,4,11,13,15,17,21-22H,3,5-10,12,14H2,1H3,(H,24,25)/b4-2-,13-11+
C20H30O5350.44921100

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