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: QCHSEDTUUKDTIG (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
146375

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C16H11ClN2O3.2K.H2O/c17-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)19-14(16(21)22)15(20)18-12;;;/h1-8,14H,(H,18,20)(H,21,22);;;1H2/q;2*+1;/p-2
C16H11ClK2N2O4408.91914223900
10784523

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C16H11ClN2O3.2K.H2O/c17-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)19-14(16(21)22)15(20)18-12;;;/h1-8,14H,(H,18,20)(H,21,22);;;1H2/q;2*+1;/p-2/rC16H11ClN2O3.HKO.K/c17-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)19-14(16(21)22)15(20)18-12;1-2;/h1-8,14H,(H,18,20)(H,21,22);2H;/q;;+1/p-1
C16H11ClK2N2O4408.91918794634
38416

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C16H11ClN2O3.2K.H2O/c17-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)19-14(16(21)22)15(20)18-12;;;/h1-8,14H,(H,18,20)(H,21,22);;;1H2/q;2*+1;/p-1
C16H12ClK2N2O4409.92708412100
21245631

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C16H11ClN2O3.2K.H2O/c17-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)19-14(16(21)22)15(20)18-12;;;/h1-8,14H,(H,18,20)(H,21,22);;;1H2/q;2*+1;/p-1/rC16H11ClN2O3.HKO.K/c17-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)19-14(16(21)22)15(20)18-12;1-2;/h1-8,14H,(H,18,20)(H,21,22);2H;/q;;+1
C16H12ClK2N2O4409.92651100
34985834

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C16H11ClN2O3.2K.H2O/c17-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)19-14(16(21)22)15(20)18-12;;;/h1-8,14H,(H,18,20)(H,21,22);;;1H2/q;2*+1;/p-2/t14-;;;/m0.../s1
C16H11ClK2N2O4408.91911100
34985835

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C16H11ClN2O3.2K.H2O/c17-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)19-14(16(21)22)15(20)18-12;;;/h1-8,14H,(H,18,20)(H,21,22);;;1H2/q;2*+1;/p-2/t14-;;;/m1.../s1
C16H11ClK2N2O4408.91911100
58780641

Charge

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C16H11ClN2O3.2K.H2O/c17-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)19-14(16(21)22)15(20)18-12;;;/h1-8,14H,(H,18,20)(H,21,22);;;1H2/q;2*+1;/p-2/i1D,2D,3D,4D,5D;;;
C16H6D5ClK2N2O4413.94991100

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