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: NDOGYHUMWQPHFA (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
128882

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C25H25N6O8P/c1-12(32)30(15-6-7-17-14(9-15)8-13-4-2-3-5-16(13)17)25-27-21-22(28-24(26)29-23(21)34)31(25)20-10-18(33)19(39-20)11-38-40(35,36)37/h2-7,9,18-20,33H,8,10-11H2,1H3,(H2,35,36,37)(H3,26,28,29,34)/t18-,19+,20+/m0/s1
C25H25N6O8P568.4752111100
95642058

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C25H25N6O8P/c1-12(32)30(15-6-7-17-14(9-15)8-13-4-2-3-5-16(13)17)25-27-21-22(28-24(26)29-23(21)34)31(25)20-10-18(33)19(39-20)11-38-40(35,36)37/h2-7,9,18-20,33H,8,10-11H2,1H3,(H2,35,36,37)(H3,26,28,29,34)
C25H25N6O8P568.47522200
114816672

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C25H25N6O8P/c1-12(32)30(15-6-7-17-14(9-15)8-13-4-2-3-5-16(13)17)25-27-21-22(28-24(26)29-23(21)34)31(25)20-10-18(33)19(39-20)11-38-40(35,36)37/h2-7,9,18-20,33H,8,10-11H2,1H3,(H2,35,36,37)(H3,26,28,29,34)/t18-,19-,20-/m1/s1
C25H25N6O8P568.47521100
19985335

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C25H25N6O8P/c1-12(32)30(15-6-7-17-14(9-15)8-13-4-2-3-5-16(13)17)25-27-21-22(28-24(26)29-23(21)34)31(25)20-10-18(33)19(39-20)11-38-40(35,36)37/h2-7,9,18-20,33H,8,10-11H2,1H3,(H2,35,36,37)(H3,26,28,29,34)/p-2/t18-,19+,20+/m0/s1
C25H23N6O8P566.46041100
68023987

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C25H25N6O8P/c1-12(32)30(15-6-7-17-14(9-15)8-13-4-2-3-5-16(13)17)25-27-21-22(28-24(26)29-23(21)34)31(25)20-10-18(33)19(39-20)11-38-40(35,36)37/h2-7,9,18-20,33H,8,10-11H2,1H3,(H2,35,36,37)(H3,26,28,29,34)/t18-,19+,20+/m1/s1
C25H25N6O8P568.47521100

Advertisement