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: COALAJMVVAMTDI (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3204710

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C20H22N2O7/c1-3-10-29-15-7-4-13(5-8-15)16(12-19(23)24)21-20(25)14-6-9-18(28-2)17(11-14)22(26)27/h4-9,11,16H,3,10,12H2,1-2H3,(H,21,25)(H,23,24)
C20H22N2O7402.3979171300
5635163

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H22N2O7/c1-3-10-29-15-7-4-13(5-8-15)16(12-19(23)24)21-20(25)14-6-9-18(28-2)17(11-14)22(26)27/h4-9,11,16H,3,10,12H2,1-2H3,(H,21,25)(H,23,24)/t16-/m1/s1
C20H22N2O7402.39792100
5635165

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H22N2O7/c1-3-10-29-15-7-4-13(5-8-15)16(12-19(23)24)21-20(25)14-6-9-18(28-2)17(11-14)22(26)27/h4-9,11,16H,3,10,12H2,1-2H3,(H,21,25)(H,23,24)/t16-/m0/s1
C20H22N2O7402.39792100
5635164

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H22N2O7/c1-3-10-29-15-7-4-13(5-8-15)16(12-19(23)24)21-20(25)14-6-9-18(28-2)17(11-14)22(26)27/h4-9,11,16H,3,10,12H2,1-2H3,(H,21,25)(H,23,24)/p-1/t16-/m0/s1
C20H21N2O7401.39051100
5635162

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H22N2O7/c1-3-10-29-15-7-4-13(5-8-15)16(12-19(23)24)21-20(25)14-6-9-18(28-2)17(11-14)22(26)27/h4-9,11,16H,3,10,12H2,1-2H3,(H,21,25)(H,23,24)/p-1/t16-/m1/s1
C20H21N2O7401.39051100

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