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: IUAUWORIUKDXPJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4922515

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H20N4O4S/c1-3-17(27)26-16-8-6-5-7-15(16)18-19(23-22(25-24-18)31-4-2)30-20(26)13-9-11-14(12-10-13)21(28)29/h5-12,20H,3-4H2,1-2H3,(H,28,29)
C22H20N4O4S436.4836221700
4913097

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H20N4O4S/c1-3-17(27)26-16-8-6-5-7-15(16)18-19(23-22(25-24-18)31-4-2)30-20(26)13-9-11-14(12-10-13)21(28)29/h5-12,20H,3-4H2,1-2H3,(H,28,29)/t20-/m0/s1
C22H20N4O4S436.48362100
4913098

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H20N4O4S/c1-3-17(27)26-16-8-6-5-7-15(16)18-19(23-22(25-24-18)31-4-2)30-20(26)13-9-11-14(12-10-13)21(28)29/h5-12,20H,3-4H2,1-2H3,(H,28,29)/t20-/m1/s1
C22H20N4O4S436.48362100
5330776

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H20N4O4S/c1-3-17(27)26-16-8-6-5-7-15(16)18-19(23-22(25-24-18)31-4-2)30-20(26)13-9-11-14(12-10-13)21(28)29/h5-12,20H,3-4H2,1-2H3,(H,28,29)/p-1/t20-/m1/s1
C22H19N4O4S435.475661100
5330777

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H20N4O4S/c1-3-17(27)26-16-8-6-5-7-15(16)18-19(23-22(25-24-18)31-4-2)30-20(26)13-9-11-14(12-10-13)21(28)29/h5-12,20H,3-4H2,1-2H3,(H,28,29)/p-1/t20-/m0/s1
C22H19N4O4S435.475661100

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