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: XNSPCSMIPDACTB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
111740

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H12F3N3O4/c11-10(12,13)4-2-16(9(19)15-8(4)14)7-1-5(18)6(3-17)20-7/h2,5-7,17-18H,1,3H2,(H2,14,15,19)/t5-,6+,7+/m0/s1
C10H12F3N3O4295.2152372200
2057771

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C10H12F3N3O4/c11-10(12,13)4-2-16(9(19)15-8(4)14)7-1-5(18)6(3-17)20-7/h2,5-7,17-18H,1,3H2,(H2,14,15,19)/t5?,6-,7-/m1/s1
C10H12F3N3O4295.21518963300
445964

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H12F3N3O4/c11-10(12,13)4-2-16(9(19)15-8(4)14)7-1-5(18)6(3-17)20-7/h2,5-7,17-18H,1,3H2,(H2,14,15,19)/t5-,6-,7-/m1/s1
C10H12F3N3O4295.21522200
445967

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H12F3N3O4/c11-10(12,13)4-2-16(9(19)15-8(4)14)7-1-5(18)6(3-17)20-7/h2,5-7,17-18H,1,3H2,(H2,14,15,19)/t5-,6+,7+/m1/s1
C10H12F3N3O4295.21522200
62378056

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C10H12F3N3O4/c11-10(12,13)4-2-16(9(19)15-8(4)14)7-1-5(18)6(3-17)20-7/h2,5-7,17-18H,1,3H2,(H2,14,15,19)/t5-,6-,7-/m0/s1
C10H12F3N3O4295.21521100

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