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: PBTWMDAYKRBGAH (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4011095

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C14H19ClN4O3/c1-9(13(21)18-14(22)16-2)19(3)8-12(20)17-11-7-5-4-6-10(11)15/h4-7,9H,8H2,1-3H3,(H,17,20)(H2,16,18,21,22)
C14H19ClN4O3326.778669800
7327003

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C14H19ClN4O3/c1-9(13(21)18-14(22)16-2)19(3)8-12(20)17-11-7-5-4-6-10(11)15/h4-7,9H,8H2,1-3H3,(H,17,20)(H2,16,18,21,22)/t9-/m0/s1
C14H19ClN4O3326.77872100
7327008

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C14H19ClN4O3/c1-9(13(21)18-14(22)16-2)19(3)8-12(20)17-11-7-5-4-6-10(11)15/h4-7,9H,8H2,1-3H3,(H,17,20)(H2,16,18,21,22)/t9-/m1/s1
C14H19ClN4O3326.77872100
7327007

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C14H19ClN4O3/c1-9(13(21)18-14(22)16-2)19(3)8-12(20)17-11-7-5-4-6-10(11)15/h4-7,9H,8H2,1-3H3,(H,17,20)(H2,16,18,21,22)/p+1/t9-/m1/s1
C14H20ClN4O3327.78611100
7327002

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C14H19ClN4O3/c1-9(13(21)18-14(22)16-2)19(3)8-12(20)17-11-7-5-4-6-10(11)15/h4-7,9H,8H2,1-3H3,(H,17,20)(H2,16,18,21,22)/p+1/t9-/m0/s1
C14H20ClN4O3327.78611100

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