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: SXSUUWATWRQQBV (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3076010

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H24N2O7/c1-11-16(29-12(2)20(27)23-9-17(24)22-10-18(25)26)8-7-14-13-5-3-4-6-15(13)21(28)30-19(11)14/h7-8,12H,3-6,9-10H2,1-2H3,(H,22,24)(H,23,27)(H,25,26)
C21H24N2O7416.4245201100
1389431

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H24N2O7/c1-11-16(29-12(2)20(27)23-9-17(24)22-10-18(25)26)8-7-14-13-5-3-4-6-15(13)21(28)30-19(11)14/h7-8,12H,3-6,9-10H2,1-2H3,(H,22,24)(H,23,27)(H,25,26)/t12-/m1/s1
C21H24N2O7416.42452100
1389433

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H24N2O7/c1-11-16(29-12(2)20(27)23-9-17(24)22-10-18(25)26)8-7-14-13-5-3-4-6-15(13)21(28)30-19(11)14/h7-8,12H,3-6,9-10H2,1-2H3,(H,22,24)(H,23,27)(H,25,26)/t12-/m0/s1
C21H24N2O7416.42452100
1389430

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H24N2O7/c1-11-16(29-12(2)20(27)23-9-17(24)22-10-18(25)26)8-7-14-13-5-3-4-6-15(13)21(28)30-19(11)14/h7-8,12H,3-6,9-10H2,1-2H3,(H,22,24)(H,23,27)(H,25,26)/p-1/t12-/m0/s1
C21H23N2O7415.41711100
1389432

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H24N2O7/c1-11-16(29-12(2)20(27)23-9-17(24)22-10-18(25)26)8-7-14-13-5-3-4-6-15(13)21(28)30-19(11)14/h7-8,12H,3-6,9-10H2,1-2H3,(H,22,24)(H,23,27)(H,25,26)/p-1/t12-/m1/s1
C21H23N2O7415.41711100

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