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 7 results

Search term: QSMRHXUZHXEHBK (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
599927

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C16H15NO4/c18-15(9-8-13-7-4-10-21-13)17-14(16(19)20)11-12-5-2-1-3-6-12/h1-10,14H,11H2,(H,17,18)(H,19,20)/b9-8+/t14-/m0/s1
C16H15NO4285.2946332700
20059995

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C16H15NO4/c18-15(9-8-13-7-4-10-21-13)17-14(16(19)20)11-12-5-2-1-3-6-12/h1-10,14H,11H2,(H,17,18)(H,19,20)/b9-8+
C16H15NO4285.2946111300
3882289

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C16H15NO4/c18-15(9-8-13-7-4-10-21-13)17-14(16(19)20)11-12-5-2-1-3-6-12/h1-10,14H,11H2,(H,17,18)(H,19,20)
C16H15NO4285.29462100
5296654

Charge

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C16H15NO4/c18-15(9-8-13-7-4-10-21-13)17-14(16(19)20)11-12-5-2-1-3-6-12/h1-10,14H,11H2,(H,17,18)(H,19,20)/p-1/b9-8+/t14-/m0/s1
C16H14NO4284.286661100
50025810

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C16H15NO4/c18-15(9-8-13-7-4-10-21-13)17-14(16(19)20)11-12-5-2-1-3-6-12/h1-10,14H,11H2,(H,17,18)(H,19,20)/b9-8+/t14-/m1/s1
C16H15NO4285.29461100
67493794

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C16H15NO4/c18-15(9-8-13-7-4-10-21-13)17-14(16(19)20)11-12-5-2-1-3-6-12/h1-10,14H,11H2,(H,17,18)(H,19,20)/t14-/m0/s1
C16H15NO4285.29461100
123246789

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C16H15NO4/c18-15(9-8-13-7-4-10-21-13)17-14(16(19)20)11-12-5-2-1-3-6-12/h1-10,14H,11H2,(H,17,18)(H,19,20)/b9-8-
C16H15NO4285.29461200

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