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: PGHGGOHEWBODPG (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
140926

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C25H30N2O7/c1-27(2)6-5-26-23-15-10-18-17(33-12-34-18)9-14(15)21(22-16(23)11-32-25(22)29)13-7-19(30-3)24(28)20(8-13)31-4/h7-10,16,21-23,26,28H,5-6,11-12H2,1-4H3/t16-,21+,22-,23+/m0/s1
C25H30N2O7470.514910800
2762938

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C25H30N2O7/c1-27(2)6-5-26-23-15-10-18-17(33-12-34-18)9-14(15)21(22-16(23)11-32-25(22)29)13-7-19(30-3)24(28)20(8-13)31-4/h7-10,16,21-23,26,28H,5-6,11-12H2,1-4H3
C25H30N2O7470.51495200
332107

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C25H30N2O7/c1-27(2)6-5-26-23-15-10-18-17(33-12-34-18)9-14(15)21(22-16(23)11-32-25(22)29)13-7-19(30-3)24(28)20(8-13)31-4/h7-10,16,21-23,26,28H,5-6,11-12H2,1-4H3/t16?,21?,22-,23+/m0/s1
C25H30N2O7470.51493200
30812619

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C25H30N2O7/c1-27(2)6-5-26-23-15-10-18-17(33-12-34-18)9-14(15)21(22-16(23)11-32-25(22)29)13-7-19(30-3)24(28)20(8-13)31-4/h7-10,16,21-23,26,28H,5-6,11-12H2,1-4H3/t16?,21-,22-,23+/m0/s1
C25H30N2O7470.51492300
58841673

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C25H30N2O7/c1-27(2)6-5-26-23-15-10-18-17(33-12-34-18)9-14(15)21(22-16(23)11-32-25(22)29)13-7-19(30-3)24(28)20(8-13)31-4/h7-10,16,21-23,26,28H,5-6,11-12H2,1-4H3/t16-,21+,22+,23-/m1/s1
C25H30N2O7470.51491100

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