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: RGFKBWJCRHLDSR (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2994241

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C20H22N2O7/c1-10-15(28-11(2)19(26)22-8-16(23)21-9-17(24)25)7-6-13-12-4-3-5-14(12)20(27)29-18(10)13/h6-7,11H,3-5,8-9H2,1-2H3,(H,21,23)(H,22,26)(H,24,25)
C20H22N2O7402.39788191000
1388341

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H22N2O7/c1-10-15(28-11(2)19(26)22-8-16(23)21-9-17(24)25)7-6-13-12-4-3-5-14(12)20(27)29-18(10)13/h6-7,11H,3-5,8-9H2,1-2H3,(H,21,23)(H,22,26)(H,24,25)/t11-/m1/s1
C20H22N2O7402.39792100
1388343

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H22N2O7/c1-10-15(28-11(2)19(26)22-8-16(23)21-9-17(24)25)7-6-13-12-4-3-5-14(12)20(27)29-18(10)13/h6-7,11H,3-5,8-9H2,1-2H3,(H,21,23)(H,22,26)(H,24,25)/t11-/m0/s1
C20H22N2O7402.39792100
1388340

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H22N2O7/c1-10-15(28-11(2)19(26)22-8-16(23)21-9-17(24)25)7-6-13-12-4-3-5-14(12)20(27)29-18(10)13/h6-7,11H,3-5,8-9H2,1-2H3,(H,21,23)(H,22,26)(H,24,25)/p-1/t11-/m1/s1
C20H21N2O7401.39051100
1388342

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H22N2O7/c1-10-15(28-11(2)19(26)22-8-16(23)21-9-17(24)25)7-6-13-12-4-3-5-14(12)20(27)29-18(10)13/h6-7,11H,3-5,8-9H2,1-2H3,(H,21,23)(H,22,26)(H,24,25)/p-1/t11-/m0/s1
C20H21N2O7401.39051100

Advertisement