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: TVWAQLCFFGXYGA (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3416052

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C18H20ClN5O2S/c1-10-21-18-24(22-10)17(26)15(27-18)14(12-3-2-4-13(19)9-12)23-7-5-11(6-8-23)16(20)25/h2-4,9,11,14,26H,5-8H2,1H3,(H2,20,25)
C18H20ClN5O2S405.9017141100
5452702

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C18H20ClN5O2S/c1-10-21-18-24(22-10)17(26)15(27-18)14(12-3-2-4-13(19)9-12)23-7-5-11(6-8-23)16(20)25/h2-4,9,11,14,26H,5-8H2,1H3,(H2,20,25)/t14-/m1/s1
C18H20ClN5O2S405.90172100
5452704

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C18H20ClN5O2S/c1-10-21-18-24(22-10)17(26)15(27-18)14(12-3-2-4-13(19)9-12)23-7-5-11(6-8-23)16(20)25/h2-4,9,11,14,26H,5-8H2,1H3,(H2,20,25)/t14-/m0/s1
C18H20ClN5O2S405.90172100
5452703

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C18H20ClN5O2S/c1-10-21-18-24(22-10)17(26)15(27-18)14(12-3-2-4-13(19)9-12)23-7-5-11(6-8-23)16(20)25/h2-4,9,11,14,26H,5-8H2,1H3,(H2,20,25)/p+1/t14-/m0/s1
C18H21ClN5O2S406.90911100
5452701

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C18H20ClN5O2S/c1-10-21-18-24(22-10)17(26)15(27-18)14(12-3-2-4-13(19)9-12)23-7-5-11(6-8-23)16(20)25/h2-4,9,11,14,26H,5-8H2,1H3,(H2,20,25)/p+1/t14-/m1/s1
C18H21ClN5O2S406.90911100

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