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: QTUHHHIOMGXNRY (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2067372

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C15H21NO6/c1-8(2)12(15(18)19)16-14(17)9-6-10(20-3)13(22-5)11(7-9)21-4/h6-8,12H,1-5H3,(H,16,17)(H,18,19)
C15H21NO6311.33034442901
607699

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C15H21NO6/c1-8(2)12(15(18)19)16-14(17)9-6-10(20-3)13(22-5)11(7-9)21-4/h6-8,12H,1-5H3,(H,16,17)(H,18,19)/t12-/m0/s1
C15H21NO6311.3303231300
607700

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C15H21NO6/c1-8(2)12(15(18)19)16-14(17)9-6-10(20-3)13(22-5)11(7-9)21-4/h6-8,12H,1-5H3,(H,16,17)(H,18,19)/t12-/m1/s1
C15H21NO6311.33036600
3322211

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C15H21NO6/c1-8(2)12(15(18)19)16-14(17)9-6-10(20-3)13(22-5)11(7-9)21-4/h6-8,12H,1-5H3,(H,16,17)(H,18,19)/p-1
C15H20NO6310.32291100
5297610

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C15H21NO6/c1-8(2)12(15(18)19)16-14(17)9-6-10(20-3)13(22-5)11(7-9)21-4/h6-8,12H,1-5H3,(H,16,17)(H,18,19)/p-1/t12-/m0/s1
C15H20NO6310.32241100
5297611

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C15H21NO6/c1-8(2)12(15(18)19)16-14(17)9-6-10(20-3)13(22-5)11(7-9)21-4/h6-8,12H,1-5H3,(H,16,17)(H,18,19)/p-1/t12-/m1/s1
C15H20NO6310.32241100

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